| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(4-methylthiazol-2-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(4-methylthiaz…
| 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) | 4.58 | 8.29 | -49.94 | 2 | 2 | 1 | 29 | 358.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 7.2 | -6.77 | 1 | 2 | 0 | 25 | 357.342 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
