| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 26 | 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) | 3.50 | 5.05 | -52.08 | 3 | 5 | -1 | 101 | 367.506 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 3.93 | -13.33 | 4 | 5 | 0 | 98 | 368.514 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.22e-02 g/l | DrugBank-approved |
| ALOGPS_SOLUBILITY | 7.08e-02 g/l | DrugBank-approved |
No pre-computed analogs available. Try a structural similarity search.