In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 20 | Yes |
Popular Name: N-[4-(aminomethyl)phenyl]-N-ethyl-6-methyl-pyridine-3-carboxamide N-[4-(aminomethyl)phenyl]-N-ethy…
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) | 1.45 | 4.97 | -49.6 | 3 | 4 | 1 | 61 | 270.356 | 4 | ↓ |
Popular Name: N-(4-carbamoylphenyl)-N,6-dimethyl-pyridine-3-carboxamide N-(4-carbamoylphenyl)-N,6-dimeth…
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) | 0.71 | 3.03 | -16.92 | 2 | 5 | 0 | 76 | 269.304 | 3 | ↓ |
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) | 2.27 | 6.99 | -8.92 | 0 | 3 | 0 | 33 | 240.306 | 3 | ↓ |
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) | 3.74 | 10.87 | -9.44 | 0 | 3 | 0 | 33 | 316.404 | 4 | ↓ |
Popular Name: N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-pyridine-3-carboxamide N-[4-(dimethylcarbamoyl)phenyl]-…
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) | 0.61 | 5.17 | -19.47 | 1 | 5 | 0 | 62 | 283.331 | 3 | ↓ |
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) | 1.89 | 6.31 | -9.63 | 0 | 3 | 0 | 33 | 226.279 | 2 | ↓ |