| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 25 | No |
Popular Name: 2-[(E)-(1-butylbenzimidazol-2-yl)iminomethyl]-4-nitro-phenol 2-[(E)-(1-butylbenzimidazol-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) | 4.66 | 13.53 | -22.08 | 1 | 7 | 0 | 100 | 338.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 11.72 | -43.77 | 0 | 7 | -1 | 99 | 337.359 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 10.95 | -12.9 | 1 | 7 | 0 | 96 | 338.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 9.37 | -32.04 | 2 | 7 | 1 | 97 | 339.375 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
