| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: 1-[2-(4-pyridyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[2-(4-pyridyl)ethyl]-2,3,4,5-t…
| 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) | 1.93 | 7.57 | -45.61 | 2 | 3 | 1 | 33 | 254.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 6.3 | -5.4 | 1 | 3 | 0 | 28 | 253.349 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 8.03 | -88.28 | 3 | 3 | 2 | 34 | 255.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(4-pyridyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine](http://zinc12.docking.org/img/rings/280767.gif)