In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 33 | Yes |
Popular Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutyl-methanone [4-(5-benzyl-6-methyl-2-phenyl-p…
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) | 5.21 | 15.24 | -14.52 | 0 | 5 | 0 | 49 | 440.591 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.21 | 15.54 | -41.08 | 1 | 5 | 1 | 51 | 441.599 | 5 | ↓ |