In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-1-(4-methyl-1-piperidyl)-1-(2-pyridyl)butan-2-amine (1R,2R)-1-(4-methyl-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) | 1.64 | 5.07 | -37.48 | 3 | 3 | 1 | 44 | 248.394 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 6.55 | -26.68 | 3 | 3 | 1 | 43 | 248.394 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 5.23 | -107.22 | 4 | 3 | 2 | 45 | 249.402 | 4 | ↓ |