| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-bromo-3,5-dimethyl-pyrazo…
| 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) | 3.48 | 7.05 | -46.98 | 3 | 3 | 1 | 45 | 351.293 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 6.64 | -7.19 | 2 | 3 | 0 | 44 | 350.285 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
