In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 28 | Yes |
Popular Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone [4-(5-isopropyl-2,6-dimethyl-pyr…
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) | 2.49 | 10.56 | -43.04 | 1 | 6 | 1 | 60 | 383.516 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 10.18 | -13.94 | 0 | 6 | 0 | 59 | 382.508 | 4 | ↓ |