In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 19 | Yes |
Popular Name: (3S)-N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]quinuclidin-3-amine (3S)-N-[(1R)-1-(3-chloro-4-fluor…
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) | 3.48 | 8.21 | -38.17 | 2 | 2 | 1 | 16 | 283.798 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 9.23 | -121.82 | 3 | 2 | 2 | 21 | 284.806 | 3 | ↓ |