| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(5…
| 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) | 3.80 | 6.9 | -42.44 | 4 | 3 | 1 | 56 | 369.333 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 6.37 | -7.24 | 3 | 3 | 0 | 55 | 368.325 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 7.12 | -104.38 | 5 | 3 | 2 | 58 | 370.341 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
