| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 20 | No |
| 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) | -3.98 | -7.52 | -350.86 | 3 | 12 | -4 | 215 | 336.082 | 5 | ↓ |
| Mid Mid (pH 6-8) | -3.98 | -8.67 | -216.63 | 4 | 12 | -3 | 212 | 337.09 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -3.98 | -9.82 | -109.66 | 5 | 12 | -2 | 209 | 338.098 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.33e+01 g/l | DrugBank-experimental |
