| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2010 | 19 | No |
None
| 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) | 2.34 | 3.89 | -11.32 | 1 | 4 | 0 | 47 | 309.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 4.43 | -47.07 | 1 | 4 | -1 | 47 | 308.33 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.21e-02 g/l | DrugBank-experimental |
