| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2011 | 30 | Yes |
Popular Name: Flupenthixol Flupenthixol
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) | 4.10 | 9.46 | -44.74 | 2 | 3 | 1 | 28 | 437.551 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 7.22 | -6.92 | 1 | 3 | 0 | 27 | 436.543 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 9.54 | -34.88 | 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 |
| PUBCHEM_PATENT_ID | EP0002902A1; EP0005607A1; EP0035363A1; EP0054975A1; EP0107134A1; EP0110521A2; EP0200322A1; EP0233932A1; EP0240904A2; EP0240904B1; EP0251905A2; EP0251905B1; EP0265116A2; EP0265116B1; EP0281261A2; EP0281261B1; EP0313328A1; EP0342557A1; EP0342557B1; EP035810 | IBM Patent Data |
| Patent Database Links | EP1627639; US2007270403; WO2007110878; WO2008116308 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.