| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 1-[(1-methylimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1-methylimidazol-2-yl)methyl…
| 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) | 0.97 | 7.8 | -89.72 | 3 | 4 | 2 | 39 | 244.342 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 5.98 | -9.38 | 1 | 4 | 0 | 33 | 242.326 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 7.23 | -50.7 | 2 | 4 | 1 | 38 | 243.334 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
