| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 26 | Yes |
Popular Name: 7-[(3-chlorophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione 7-[(3-chlorophenyl)methyl]-8-(3-…
| 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) | 2.13 | 7.96 | -10.7 | 2 | 8 | 0 | 94 | 377.832 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 8.38 | -41.08 | 3 | 8 | 1 | 95 | 378.84 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
