In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 14 | Yes |
Popular Name: (2S)-2-methyl-3-[[(3R)-quinuclidin-3-yl]amino]propanenitrile (2S)-2-methyl-3-[[(3R)-quinuclid…
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) | 1.28 | 5 | -40.87 | 2 | 3 | 1 | 40 | 194.302 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 5.87 | -121.81 | 3 | 3 | 2 | 45 | 195.31 | 3 | ↓ |