In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 27 | Yes |
Popular Name: 8-[(2-acetylanilino)methyl]-3-butyl-7-methyl-purine-2,6-dione 8-[(2-acetylanilino)methyl]-3-bu…
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) | 1.70 | 7.59 | -12.75 | 2 | 8 | 0 | 102 | 369.425 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.