| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 26 | Yes |
2-{[(4-methoxy-3-methylpyridin-2-yl)methyl]sulfinyl}-5-(1H-pyrrol-1-yl)-1H-benzimidazole
| 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) | 2.39 | 6.81 | -39.57 | 2 | 6 | 1 | 74 | 367.454 | 5 | ↓ |
| Ref Reference (pH 7) | 2.39 | 6.78 | -40.05 | 2 | 6 | 1 | 74 | 367.454 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 5.93 | -52.62 | 0 | 6 | -1 | 71 | 365.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 5.9 | -50.57 | 0 | 6 | -1 | 71 | 365.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 6.39 | -15.73 | 1 | 6 | 0 | 73 | 366.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 6.37 | -15.46 | 1 | 6 | 0 | 73 | 366.446 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.