In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 19 | Yes |
Popular Name: (3-hydroxy-2-pyridyl)-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone (3-hydroxy-2-pyridyl)-[4-[2-(met…
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) | 1.34 | 5.53 | -81.54 | 2 | 5 | 0 | 73 | 263.341 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 4.52 | -48.59 | 3 | 5 | 1 | 70 | 264.349 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 3.54 | -69.16 | 3 | 5 | 1 | 74 | 264.349 | 4 | ↓ |