| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 16 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(1,2,4-triazol…
| 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) | 1.80 | 8.48 | -52.27 | 2 | 4 | 1 | 47 | 282.165 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 7.31 | -7.18 | 1 | 4 | 0 | 43 | 281.157 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
