| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 24 | No |
Popular Name: (2R)-2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-carbamoyl-propanamide (2R)-2-[4-(1H-benzimidazol-2-yl)…
| 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) | 0.73 | 6.48 | -60.71 | 5 | 8 | 1 | 109 | 331.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 5.01 | -24.04 | 4 | 8 | 0 | 107 | 330.392 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 6.92 | -101.91 | 6 | 8 | 2 | 110 | 332.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
