In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: 1-[(1R,2R)-2-(ethylamino)cycloheptyl]-N,N-dimethyl-piperidin-4-amine 1-[(1R,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) | 2.82 | 7.67 | -85.97 | 3 | 3 | 2 | 24 | 269.477 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 6.99 | -111.47 | 3 | 3 | 2 | 24 | 269.477 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 6.54 | -34.16 | 2 | 3 | 1 | 20 | 268.469 | 4 | ↓ |