| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 24 | 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) | -2.39 | -8.16 | -197.23 | 3 | 13 | -3 | 209 | 361.183 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.39 | -9.32 | -96.46 | 4 | 13 | -2 | 206 | 362.191 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.84 | -8.02 | -58.09 | 5 | 13 | -1 | 203 | 363.199 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.80e+00 g/l | DrugBank-experimental |
