In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 19 | Yes |
Popular Name: (1R,2S)-1-(4-ethyl-4-methyl-1-piperidyl)-1-(2-pyridyl)propan-2-amine (1R,2S)-1-(4-ethyl-4-methyl-1-pi…
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) | 1.86 | 6.72 | -29.21 | 3 | 3 | 1 | 43 | 262.421 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 5.27 | -43.91 | 3 | 3 | 1 | 44 | 262.421 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 5.12 | -99.85 | 4 | 3 | 2 | 45 | 263.429 | 4 | ↓ |