| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 16 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(4-methylpyrazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(4-methylpyraz…
| 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) | 0.85 | 5.97 | -51.21 | 3 | 3 | 1 | 45 | 281.177 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 5.64 | -7.24 | 2 | 3 | 0 | 44 | 280.169 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
