In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: 1-[(1S,2S,5S)-5-ethyl-2-(propylamino)cyclohexyl]-N,N-dimethyl-piperidin-4-amine 1-[(1S,2S,5S)-5-ethyl-2-(propyla…
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) | 3.50 | 8.7 | -86.46 | 3 | 3 | 2 | 24 | 297.531 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 8.11 | -117.11 | 3 | 3 | 2 | 24 | 297.531 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 10.55 | -203.44 | 4 | 3 | 3 | 25 | 298.539 | 6 | ↓ |