In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2011 | 29 | No |
Popular Name: N'-(5-chloro-2-cyano-phenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide N'-(5-chloro-2-cyano-phenyl)-N-[…
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) | 2.20 | 5.83 | -9.68 | 2 | 7 | 0 | 88 | 411.893 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 5.07 | -42.52 | 1 | 7 | -1 | 95 | 410.885 | 6 | ↓ |