| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2011 | 33 | No |
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) | -3.25 | 5.54 | -85.2 | 6 | 10 | -1 | 178 | 479.579 | 12 | ↓ |
| Hi High (pH 8-9.5) | -3.25 | 5.24 | -99.13 | 5 | 10 | -2 | 177 | 478.571 | 12 | ↓ |
| Mid Mid (pH 6-8) | -3.25 | 6.52 | -66.27 | 7 | 10 | 0 | 183 | 480.587 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.16e-02 g/l | DrugBank-approved |
No pre-computed analogs available. Try a structural similarity search.