In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 30 | Yes |
Popular Name: 1-[(2,6-dichlorophenyl)methyl]-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 1-[(2,6-dichlorophenyl)methyl]-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) | 4.20 | 2.86 | -9.47 | 0 | 8 | 0 | 80 | 447.326 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 3.02 | -30.15 | 1 | 8 | 1 | 81 | 448.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.