In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 30 | Yes |
Popular Name: 6-[(3S)-3-phenylpiperazin-1-yl]-N-[2-(p-tolyl)ethyl]pyridine-3-carboxamide 6-[(3S)-3-phenylpiperazin-1-yl]-…
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) | 3.82 | 11.3 | -52.2 | 3 | 5 | 1 | 62 | 401.534 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 10.2 | -10.3 | 2 | 5 | 0 | 57 | 400.526 | 6 | ↓ |