| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 31 | Yes |
None
| 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) | 2.26 | 4.44 | -14.16 | 4 | 7 | 0 | 124 | 430.497 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 5.78 | -60.41 | 3 | 7 | -1 | 127 | 429.489 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 5.24 | -66.04 | 3 | 7 | -1 | 127 | 429.489 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.27e-01 g/l | DrugBank-experimental |
