In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 26 | Yes |
Popular Name: (4-benzyl-1,4-diazepan-1-yl)-(2-propylsulfanyl-3-pyridyl)methanone (4-benzyl-1,4-diazepan-1-yl)-(2-…
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 | 12.08 | -43.01 | 1 | 4 | 1 | 38 | 370.542 | 6 | ↓ |