| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 23 | Yes |
Popular Name: (2R)-1-[(1-isobutylbenzimidazol-2-yl)methyl]-2-methyl-1,4-diazepan-5-one (2R)-1-[(1-isobutylbenzimidazol-…
| 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) | 2.10 | 5.25 | -11.63 | 1 | 5 | 0 | 50 | 314.433 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 6.27 | -34.48 | 2 | 5 | 1 | 51 | 315.441 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.53 | -46.45 | 2 | 5 | 1 | 51 | 315.441 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 8.26 | -113.05 | 3 | 5 | 2 | 53 | 316.449 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
