In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 18 | Yes |
Popular Name: [(3R)-3-ethoxy-1-piperidyl]-(3-hydroxy-2-pyridyl)methanone [(3R)-3-ethoxy-1-piperidyl]-(3-h…
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) | 1.07 | 3.99 | -10.67 | 1 | 5 | 0 | 63 | 250.298 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 3.02 | -30.32 | 1 | 5 | 0 | 67 | 250.298 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 5 | -52.27 | 0 | 5 | -1 | 65 | 249.29 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.07 | 2.25 | -37.88 | 2 | 5 | 1 | 64 | 251.306 | 3 | ↓ |