| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 20 | Yes |
Popular Name: 3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)pyrazine-2-carbonitrile 3-(1-methyl-3,5-dihydro-2H-1,4-b…
| 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) | 1.77 | 7.32 | -8.44 | 0 | 5 | 0 | 56 | 265.32 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 7.42 | -38.27 | 1 | 5 | 1 | 57 | 266.328 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
