| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 23 | 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) | 3.40 | -1.44 | -11.22 | 4 | 6 | 0 | 111 | 444.031 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 0.1 | -83.84 | 2 | 6 | -2 | 117 | 442.015 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | -0.67 | -40.28 | 3 | 6 | -1 | 114 | 443.023 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.27e-02 g/l | DrugBank-experimental |
