In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 18 | Yes |
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) | 0.32 | 6.42 | -55.5 | 0 | 5 | -1 | 73 | 247.274 | 3 | ↓ |
Popular Name: 4-methyl-1-[2-(2-pyridyl)acetyl]piperidine-4-carboxylic 4-methyl-1-[2-(2-pyridyl)acetyl]…
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) | 0.56 | 6.67 | -53.76 | 0 | 5 | -1 | 73 | 261.301 | 3 | ↓ |
Popular Name: 4-ethyl-1-[2-(2-pyridyl)acetyl]piperidine-4-carboxylic 4-ethyl-1-[2-(2-pyridyl)acetyl]p…
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) | 0.90 | 7.15 | -52.86 | 0 | 5 | -1 | 73 | 275.328 | 4 | ↓ |
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) | 1.00 | 6.92 | -59.16 | 1 | 4 | 0 | 57 | 234.299 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.00 | 7.2 | -113.62 | 2 | 4 | 1 | 59 | 235.307 | 4 | ↓ |