In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2010 | 24 | Yes |
Popular Name: (3S)-1-(3-chloro-4-hydroxy-benzoyl)-N-[(1S)-1-methylbutyl]piperidine-3-carboxamide (3S)-1-(3-chloro-4-hydroxy-benzo…
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) | 2.94 | 5.66 | -11.52 | 2 | 5 | 0 | 70 | 352.862 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 6.44 | -41.35 | 1 | 5 | -1 | 72 | 351.854 | 5 | ↓ |