| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 18 | Yes |
Popular Name: 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carbonitrile 5-amino-3-[4-(dimethylamino)anil…
| 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) | 1.83 | 5.18 | -23.95 | 5 | 6 | 0 | 95 | 243.294 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 4.42 | -9.66 | 4 | 6 | 0 | 94 | 242.286 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0819129A1; EP0819129B1; US5981533; WO1996031510A1; WO1998014449A1 | IBM Patent Data |
