| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | Yes |
Popular Name: 5-(2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carbonyl)-1H-pyrazin-2-one 5-(2,3,4,5-tetrahydro-1,4-benzod…
| 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) | 0.42 | 3.62 | -47.36 | 3 | 6 | 1 | 83 | 271.3 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 0.25 | -41.86 | 1 | 6 | -1 | 81 | 269.284 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 2.37 | -9.7 | 2 | 6 | 0 | 78 | 270.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 1.51 | -66.39 | 2 | 6 | 0 | 86 | 270.292 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
