| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2010 | 29 | Yes |
Popular Name: 2-(4-fluorophenyl)-1-[(3S)-3-[(2R)-2-(4-pyridyl)pyrrolidine-1-carbonyl]-1-piperidyl]ethanone 2-(4-fluorophenyl)-1-[(3S)-3-[(2…
| 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) | 2.45 | 11.01 | -16.52 | 0 | 5 | 0 | 54 | 395.478 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 11.47 | -43.05 | 1 | 5 | 1 | 55 | 396.486 | 4 | ↓ |
