| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 17 | 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) | 0.36 | 3.95 | -39.31 | 7 | 7 | 1 | 118 | 238.271 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 3.98 | -7.96 | 6 | 7 | 0 | 116 | 237.263 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 3.7 | -101.4 | 8 | 7 | 2 | 122 | 239.279 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 3.86 | -29.19 | 7 | 7 | 1 | 120 | 238.271 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 3.01 | -30.76 | 7 | 7 | 1 | 120 | 238.271 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.37e-01 g/l | DrugBank-experimental |
