In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 31 | Yes |
Popular Name: (2R)-N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-butanamide (2R)-N-[6-[4-(3-methylbutanoyl)-…
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) | 4.57 | 12.39 | -17.38 | 1 | 6 | 0 | 66 | 422.573 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.57 | 12.83 | -44.06 | 2 | 6 | 1 | 67 | 423.581 | 7 | ↓ |