In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2005 | 29 | Yes |
Popular Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione 8-[4-(3-chlorophenyl)piperazin-1…
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) | 2.91 | 8.44 | -9.15 | 1 | 8 | 0 | 79 | 414.897 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.