In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 8th, 2010 | 25 | Yes |
Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-2-(4-isopentylpiperazin-1-yl)-N-methyl-acetamide N-[(2-chloro-6-fluoro-phenyl)met…
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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) | 3.38 | 9.55 | -37.52 | 1 | 4 | 1 | 28 | 370.92 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.38 | 9.48 | -36.18 | 1 | 4 | 1 | 28 | 370.92 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.38 | 7.27 | -8.85 | 0 | 4 | 0 | 27 | 369.912 | 7 | ↓ |