| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 29 | Yes |
Popular Name: 1-[(2S)-2-[(S)-[2,8-bis(trifluoromethyl)-4-quinolyl]-hydroxy-methyl]-1-piperidyl]ethanone 1-[(2S)-2-[(S)-[2,8-bis(trifluor…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.85 | 8.34 | -13.91 | 1 | 4 | 0 | 53 | 420.353 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000013682A2 | IBM Patent Data |
