| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2012 | 20 | Yes |
Popular Name: N-[4-(3-aminoprop-1-ynyl)-3-methyl-phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[4-(3-aminoprop-1-ynyl)-3-meth…
| 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) | 0.74 | 3.6 | -52.32 | 5 | 5 | 1 | 85 | 269.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 3.22 | -14.75 | 4 | 5 | 0 | 84 | 268.32 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 3.19 | -11.43 | 4 | 5 | 0 | 84 | 268.32 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 3.63 | -57.27 | 5 | 5 | 1 | 85 | 269.328 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.