In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: [2-[(3R)-3-ethoxy-1-piperidyl]-6-methyl-3-pyridyl]methanamine [2-[(3R)-3-ethoxy-1-piperidyl]-6…
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) | 1.08 | 5.36 | -100.75 | 4 | 4 | 2 | 54 | 251.374 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.08 | 4.95 | -26.08 | 3 | 4 | 1 | 53 | 250.366 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 4.93 | -47.97 | 3 | 4 | 1 | 53 | 250.366 | 4 | ↓ |