In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 28 | Yes |
Popular Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-methyl-propanamide N-[6-[4-(3-chlorobenzoyl)-1,4-di…
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) | 2.99 | 9.95 | -12.49 | 1 | 6 | 0 | 66 | 400.91 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 10.27 | -41.33 | 2 | 6 | 1 | 67 | 401.918 | 4 | ↓ |