In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 34 | Yes |
Popular Name: N-[6-[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-benzamide N-[6-[4-[(2,5-dimethoxyphenyl)me…
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) | 4.23 | 12.27 | -39.41 | 2 | 7 | 1 | 68 | 461.586 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 12.59 | -95.07 | 3 | 7 | 2 | 69 | 462.594 | 7 | ↓ |