In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: 1-[(1S,2R)-2-(ethylamino)cyclohexyl]-N,N-dimethyl-piperidin-4-amine 1-[(1S,2R)-2-(ethylamino)cyclohe…
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) | 2.31 | 7.06 | -83.24 | 3 | 3 | 2 | 24 | 255.45 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 6.54 | -109.53 | 3 | 3 | 2 | 24 | 255.45 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 6.34 | -33.08 | 2 | 3 | 1 | 20 | 254.442 | 4 | ↓ |