In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 29 | No |
Popular Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione 7-[(Z)-3-chlorobut-2-enyl]-3-met…
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) | 2.29 | -4.89 | -7.57 | 1 | 8 | 0 | 79 | 414.897 | 4 | ↓ |