In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 32 | Yes |
Popular Name: N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-methyl-benzamide N-[6-[4-(3-bromobenzoyl)-1,4-dia…
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) | 4.16 | 12.38 | -13.36 | 1 | 6 | 0 | 66 | 493.405 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 12.69 | -42.92 | 2 | 6 | 1 | 67 | 494.413 | 4 | ↓ |