| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2011 | 30 | Yes |
Popular Name: Flupenthixol Flupenthixol
| 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) | 4.10 | 9.65 | -50.22 | 2 | 3 | 1 | 28 | 437.551 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 7.39 | -8.07 | 1 | 3 | 0 | 27 | 436.543 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 9.74 | -39.54 | 2 | 3 | 1 | 28 | 437.551 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.00e-03 g/l | DrugBank-approved |
| ALOGPS_SOLUBILITY | 3.99e-03 g/l | DrugBank-approved |
| Patent Database Links | EP1627639; US2007270403; WO2007110878; WO2008116308 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.