| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 21 | No |
Popular Name: N'-[4-cyano-5-(4-methoxyanilino)-1H-pyrazol-3-yl]-N,N-dimethyl-formamidine N'-[4-cyano-5-(4-methoxyanilino)…
| 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) | -1.97 | 7.46 | -33.28 | 3 | 7 | 1 | 89 | 285.331 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.97 | 7.55 | -44.95 | 3 | 7 | 1 | 89 | 285.331 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0819129A1; EP0819129B1; US5981533; WO1996031510A1 | IBM Patent Data |
