In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 31 | Yes |
Popular Name: 2-[4-[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]piperazin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide 2-[4-[2-[(2-chlorophenyl)amino]-…
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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) | 3.25 | 5.81 | -50.82 | 3 | 8 | 1 | 84 | 447.943 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 5.81 | -50.52 | 3 | 8 | 1 | 84 | 447.943 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 3.58 | -19.83 | 2 | 8 | 0 | 83 | 446.935 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 8.08 | -130.59 | 4 | 8 | 2 | 86 | 448.951 | 8 | ↓ |