| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 22 | No |
Popular Name: 3-[(3-chlorophenyl)methyl]-8-isopropyl-6-thioxo-7H-purin-2-one 3-[(3-chlorophenyl)methyl]-8-iso…
| 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) | 3.17 | 6.89 | -45.2 | 1 | 5 | -1 | 70 | 333.824 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 7.36 | -45.54 | 2 | 5 | 0 | 71 | 334.832 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
