| FADB-China ID | P1998 |
| Molecular Name | Whitlockite |
| Basis for prediction |
Calcium phosphate |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.3966 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 1.0000 |
| Similarity (based on MCS) | 0.0847 |
| 2D Structure |  |
| SMILES | O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Fe+2].[Mg+2] |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |