| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: 4-[(1R)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]benzonitrile 4-[(1R)-1-(2,3,4,5-tetrahydro-1,…
| 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) | 3.12 | 8.83 | -44.24 | 2 | 3 | 1 | 44 | 278.379 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 7.58 | -6.27 | 1 | 3 | 0 | 39 | 277.371 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
