| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2012 | 18 | Yes |
Popular Name: N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide N-[3-(aminomethyl)phenyl]-N,5-di…
| 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) | 0.76 | 2.45 | -54.61 | 4 | 5 | 1 | 77 | 245.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 2.12 | -12.85 | 3 | 5 | 0 | 75 | 244.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 2.04 | -9.86 | 3 | 5 | 0 | 75 | 244.298 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 2.52 | -58.77 | 4 | 5 | 1 | 77 | 245.306 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.