| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 17 | Yes |
Popular Name: (1R)-1-[3-bromo-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(1H-1,2,4-tria…
| 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) | 2.70 | 6.88 | -48.34 | 3 | 4 | 1 | 58 | 314.232 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 6.68 | -68.9 | 2 | 4 | 0 | 56 | 313.224 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
