| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1S)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-bromo-phenyl]ethanamine (1S)-1-[4-(1H-benzimidazol-2-yls…
| 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) | 2.48 | 6.81 | -53.1 | 4 | 3 | 1 | 56 | 349.277 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 6.47 | -8.08 | 3 | 3 | 0 | 55 | 348.269 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
