| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 28 | 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) | 5.76 | 14.71 | -36.93 | 1 | 2 | 1 | 8 | 369.532 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.76 | 12.41 | -3.71 | 0 | 2 | 0 | 6 | 368.524 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.76 | 14.12 | -33.6 | 1 | 2 | 1 | 8 | 369.532 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.72e-03 g/l | DrugBank-approved |
No pre-computed analogs available. Try a structural similarity search.