In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2010 | 33 | Yes |
Popular Name: (3S)-1-[(3S)-6-chloro-2-oxo-4-phenyl-3H-quinolin-3-yl]-N-(3-pyridyl)piperidine-3-carboxamide (3S)-1-[(3S)-6-chloro-2-oxo-4-ph…
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) | 3.95 | 10.58 | -105.66 | 3 | 6 | 2 | 77 | 460.965 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 8.52 | -36.08 | 2 | 6 | 1 | 76 | 459.957 | 4 | ↓ |