| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 22 | Yes |
Popular Name: 5-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]pentanenitrile 5-[4-(1H-benzimidazol-2-yl)-1,4-…
| 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) | 2.25 | 12.42 | -105.1 | 3 | 5 | 2 | 61 | 299.422 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 10.62 | -31.88 | 2 | 5 | 1 | 60 | 298.414 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 12.03 | -53.87 | 2 | 5 | 1 | 60 | 298.414 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 10.23 | -14.42 | 1 | 5 | 0 | 59 | 297.406 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
