In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 28 | Yes |
Popular Name: N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-3-chloro-4-fluoro-benzamide N-[5-tert-butyl-2-(4-cyanophenyl…
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) | 5.15 | 12.16 | -15.36 | 1 | 5 | 0 | 71 | 396.853 | 4 | ↓ |
Popular Name: N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-4-fluoro-benzamide N-[5-tert-butyl-2-(4-cyanophenyl…
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) | 4.54 | 11.72 | -12.06 | 1 | 5 | 0 | 71 | 362.408 | 4 | ↓ |
Popular Name: N-[5-tert-butyl-2-(4-cyanophenyl)pyrazol-3-yl]-3,4-difluoro-benzamide N-[5-tert-butyl-2-(4-cyanophenyl…
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) | 4.63 | 11.77 | -14.5 | 1 | 5 | 0 | 71 | 380.398 | 4 | ↓ |