| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 34 | 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) | -5.17 | -15.73 | -295.63 | 17 | 14 | 4 | 258 | 500.59 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.17 | -18.09 | -9.85 | 13 | 14 | 0 | 248 | 496.558 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.17 | -18.16 | -53.76 | 14 | 14 | 1 | 250 | 497.566 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.17 | -16.53 | -159.4 | 16 | 14 | 3 | 256 | 499.582 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.17 | -16.12 | -194.17 | 16 | 14 | 3 | 256 | 499.582 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.83e+01 g/l | DrugBank-experimental |
