| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 24 | Yes |
Popular Name: 3-methyl-1-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile 3-methyl-1-(4-methyl-1,4-diazepa…
| 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) | 3.28 | 11.54 | -61.81 | 1 | 5 | 1 | 49 | 320.42 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 9.42 | -13.86 | 0 | 5 | 0 | 48 | 319.412 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.28 | 11.95 | -89 | 2 | 5 | 2 | 50 | 321.428 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Pyrido[1,2-a]benzimidazole](http://zinc12.docking.org/img/rings/3679.gif)
![1-(1,4-diazepan-1-yl)pyrido[1,2-a]benzimidazole](http://zinc12.docking.org/img/rings/145763.gif)