In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-1-(4-ethyl-1-piperidyl)-1-(2-pyridyl)butan-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) | 2.33 | 5.83 | -39.55 | 3 | 3 | 1 | 44 | 262.421 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 7.45 | -29.7 | 3 | 3 | 1 | 43 | 262.421 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.33 | 6.04 | -106.69 | 4 | 3 | 2 | 45 | 263.429 | 5 | ↓ |