In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 21 | Yes |
Popular Name: 1-[(1R,2R,5S)-2-(aminomethyl)-5-tert-butyl-cyclohexyl]-N,N-dimethyl-piperidin-4-amine 1-[(1R,2R,5S)-2-(aminomethyl)-5-…
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) | 2.67 | 6.03 | -114.72 | 4 | 3 | 2 | 35 | 297.531 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 6.8 | -92.87 | 4 | 3 | 2 | 35 | 297.531 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 8.48 | -197.8 | 5 | 3 | 3 | 37 | 298.539 | 4 | ↓ |