In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 20 | Yes |
Popular Name: 4-methyl-N-[1-[2-(methylamino)-2-oxo-ethyl]pyrazol-4-yl]benzamide 4-methyl-N-[1-[2-(methylamino)-2…
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 | 3.51 | -24.34 | 2 | 6 | 0 | 76 | 272.308 | 4 | ↓ |
Popular Name: N-[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]-4-(chloromethyl)benzamide N-[1-(2-amino-2-oxo-ethyl)pyrazo…
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) | 0.51 | 2.63 | -25.02 | 3 | 6 | 0 | 90 | 292.726 | 5 | ↓ |
Popular Name: 4-[[[1-[2-(methylamino)-2-oxo-ethyl]pyrazol-4-yl]amino]methyl]benzamide 4-[[[1-[2-(methylamino)-2-oxo-et…
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) | -0.50 | 0.31 | -21.57 | 4 | 7 | 0 | 102 | 287.323 | 6 | ↓ |