| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2011 | 29 | Yes |
Popular Name: Carphenazine Carphenazine
1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone
| 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) | 3.75 | 8.26 | -44.07 | 2 | 5 | 1 | 50 | 412.579 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 6.03 | -12.55 | 1 | 5 | 0 | 49 | 411.571 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 8.37 | -37.8 | 2 | 5 | 1 | 50 | 412.579 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.66e-02 g/l | DrugBank-approved |
| ALOGPS_SOLUBILITY | 9.05e-02 g/l | DrugBank-approved |
| Patent Database Links | EP1844769; US2008255073; WO2005092392 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.