| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 16 | Yes |
Popular Name: 1,2,3,4,4A,5-Hexahydrobenzo[b]pyrazino[1,2-d][1,4]diazepin-6(7H)-one dihydrochloride 1,2,3,4,4A,5-Hexahydrobenzo[b]py…
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CAS Number: 1272758-13-0
| 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) | 1.81 | 2.6 | -44.39 | 3 | 4 | 1 | 49 | 218.28 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 1.27 | -6.28 | 2 | 4 | 0 | 44 | 217.272 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][1,5]benzodiazepin-6-one](http://zinc12.docking.org/img/rings/462840.gif)