In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 17 | Yes |
Popular Name: 1-pyrrolidin-1-yl-2-[[(3S)-quinuclidin-3-yl]amino]ethanone 1-pyrrolidin-1-yl-2-[[(3S)-quinu…
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) | 0.50 | 5.89 | -112.34 | 3 | 4 | 2 | 41 | 239.363 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 2.31 | -7.6 | 1 | 4 | 0 | 36 | 237.347 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 3.48 | -41 | 2 | 4 | 1 | 40 | 238.355 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 4.73 | -40.09 | 2 | 4 | 1 | 37 | 238.355 | 3 | ↓ |