| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | Yes |
Popular Name: 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)pyridine-2-carbonitrile 3-(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) | 1.73 | 6.28 | -44.69 | 2 | 4 | 1 | 57 | 265.34 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 4.99 | -10.82 | 1 | 4 | 0 | 52 | 264.332 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
