| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2006 | 17 | Yes |
Popular Name: (3s,8ar)-3-(1h-Imidazol-5-Ylmethyl)Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione (3s,8ar)-3-(1h-Imidazol-5-Ylmeth…
| 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) | -0.96 | 2.03 | -12.2 | 2 | 6 | 0 | 78 | 234.259 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.96 | 2.54 | -43.54 | 3 | 6 | 1 | 79 | 235.267 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.96 | 2.57 | -12.34 | 2 | 6 | 0 | 78 | 234.259 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.18e+01 g/l | DrugBank-experimental |
