In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 31 | Yes |
Popular Name: (4-ethylpiperazin-1-yl)-[1-[2-(o-tolyl)pyridine-3-carbonyl]-4-piperidyl]methanone (4-ethylpiperazin-1-yl)-[1-[2-(o…
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) | 2.30 | 9.15 | -18.94 | 0 | 6 | 0 | 57 | 420.557 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 11.45 | -57.12 | 1 | 6 | 1 | 58 | 421.565 | 4 | ↓ |