| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 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) | 0.90 | 1.57 | -38.17 | 5 | 5 | 1 | 88 | 245.306 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 4.58 | -4.07 | 0 | 1 | 0 | 9 | 164.195 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.75e-01 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.