| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2013 | 0 | Yes |
| 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) | 1.31 | 7.05 | -15.07 | 3 | 10 | 0 | 125 | 483.96 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 7.47 | -37.87 | 4 | 10 | 1 | 127 | 484.968 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.97e-02 g/l | DrugBank-approved |
| Target | PDE | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.