In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 3rd, 2011 | 18 | Yes |
Popular Name: (4-ethyl-4-methyl-1-piperidyl)-(3-hydroxy-2-pyridyl)methanone (4-ethyl-4-methyl-1-piperidyl)-(…
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) | 2.22 | 6.41 | -52.81 | 0 | 4 | -1 | 56 | 247.318 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 4.42 | -28.32 | 1 | 4 | 0 | 58 | 248.326 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 5.4 | -9.88 | 1 | 4 | 0 | 53 | 248.326 | 2 | ↓ |