In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 20 | Yes |
Popular Name: (2R,4S)-1-[(3-chloro-4-fluoro-phenyl)methyl]-2-methyl-N-propyl-piperidin-4-amine (2R,4S)-1-[(3-chloro-4-fluoro-ph…
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) | 3.89 | 7.41 | -40.37 | 2 | 2 | 1 | 20 | 299.841 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 9.52 | -113.21 | 3 | 2 | 2 | 21 | 300.849 | 5 | ↓ |