In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 29 | Yes |
Popular Name: 2-[4-[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide 2-[4-[2-[(2-chlorophenyl)amino]-…
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) | 2.87 | 0.95 | -12.84 | 2 | 7 | 0 | 81 | 416.909 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.24 | 4.25 | -12.52 | 2 | 7 | 0 | 74 | 416.909 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.24 | 6.47 | -43.6 | 3 | 7 | 1 | 75 | 417.917 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 6.47 | -44.2 | 3 | 7 | 1 | 75 | 417.917 | 7 | ↓ |