| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2012 | 18 | Yes |
Popular Name: N-[3-(aminomethyl)-4-fluoro-phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[3-(aminomethyl)-4-fluoro-phen…
| 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) | 0.64 | 1.6 | -50.67 | 5 | 5 | 1 | 85 | 249.269 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 1.22 | -13.06 | 4 | 5 | 0 | 84 | 248.261 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 1.19 | -9.31 | 4 | 5 | 0 | 84 | 248.261 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 1.62 | -55.88 | 5 | 5 | 1 | 85 | 249.269 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.