In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 3rd, 2013 | 21 | Yes |
Popular Name: 5-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide 5-amino-3-methyl-N-[2-methyl-5-(…
None
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) | 2.24 | 4.27 | -11.73 | 4 | 5 | 0 | 84 | 298.268 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 4.26 | -12.26 | 4 | 5 | 0 | 84 | 298.268 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.24 | 4.39 | -39.48 | 5 | 5 | 1 | 85 | 299.276 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.