In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 26 | Yes |
Popular Name: 3-[(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methylamino]benzonitrile 3-[(3-butyl-7-methyl-2,6-dioxo-p…
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) | 1.58 | 7.19 | -14.04 | 2 | 8 | 0 | 109 | 352.398 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.