In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 27 | No |
Popular Name: 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-phenyl-acetamide 2-[[4-(4-methylpiperazine-1-carb…
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) | 2.09 | 10.31 | -58.02 | 2 | 5 | 1 | 54 | 384.525 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 7.9 | -20.49 | 1 | 5 | 0 | 53 | 383.517 | 6 | ↓ |