In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 30 | Yes |
Popular Name: 1-[2-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone 1-[2-[(3S)-3-[4-(o-tolyl)piperaz…
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) | 3.16 | 12.13 | -17.71 | 0 | 5 | 0 | 44 | 405.542 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 12.14 | -39.79 | 1 | 5 | 1 | 45 | 406.55 | 4 | ↓ |