| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1S,2S)-1-(5-bromo-2-thienyl)-1-…
| 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) | 4.39 | 7.45 | -46.33 | 4 | 3 | 1 | 56 | 383.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 7.49 | -5.56 | 3 | 3 | 0 | 55 | 382.352 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.39 | 7.86 | -95.41 | 5 | 3 | 2 | 58 | 384.368 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
