| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 29th, 2013 | 20 | Yes |
Popular Name: N-[4-(3-aminoprop-1-ynyl)-3-fluoro-phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[4-(3-aminoprop-1-ynyl)-3-fluo…
| 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) | 0.46 | 3.09 | -51.11 | 5 | 5 | 1 | 85 | 273.291 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 2.69 | -11.26 | 4 | 5 | 0 | 84 | 272.283 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 2.71 | -14.73 | 4 | 5 | 0 | 84 | 272.283 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 3.12 | -54.76 | 5 | 5 | 1 | 85 | 273.291 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.