In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(4-ethyl-1-piperidyl)-1-(2-pyridyl)propan-2-amine (1R,2S)-1-(4-ethyl-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) | 1.79 | 6.64 | -29.43 | 3 | 3 | 1 | 43 | 248.394 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 6.94 | -111.31 | 4 | 3 | 2 | 45 | 249.402 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 5.32 | -105.8 | 4 | 3 | 2 | 45 | 249.402 | 4 | ↓ |