| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 22 | Yes |
Popular Name: 2-[4-(2-isopropoxyethyl)-1,4-diazepan-1-yl]-1H-benzimidazole 2-[4-(2-isopropoxyethyl)-1,4-dia…
| 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) | 2.74 | 9.39 | -25.16 | 2 | 5 | 1 | 46 | 303.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 8.97 | -8.43 | 1 | 5 | 0 | 44 | 302.422 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 11.31 | -88.62 | 3 | 5 | 2 | 47 | 304.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 10.89 | -37.52 | 2 | 5 | 1 | 46 | 303.43 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
