| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | No |
Popular Name: 5-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 5-bromo-1-[2-[2-methoxyethyl(met…
| 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) | 2.28 | 8.46 | -46.64 | 2 | 4 | 1 | 34 | 345.286 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 5.77 | -46.01 | 0 | 4 | -1 | 30 | 343.27 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 6.05 | -13.16 | 1 | 4 | 0 | 33 | 344.278 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 8.19 | -51.49 | 1 | 4 | 0 | 31 | 344.278 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
