In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 32 | Yes |
Popular Name: 7-butyl-8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione 7-butyl-8-[[4-(5-chloro-2-methyl…
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) | 4.05 | -0.12 | -57.01 | 1 | 8 | 1 | 69 | 460.002 | 6 | ↓ |