In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 25 | Yes |
Popular Name: 7-chloro-4-[4-[(3S)-quinuclidin-3-yl]piperazin-1-yl]quinoline 7-chloro-4-[4-[(3S)-quinuclidin-…
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) | 3.47 | 8.85 | -82.01 | 2 | 4 | 2 | 25 | 358.917 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.47 | 8.46 | -41.8 | 1 | 4 | 1 | 24 | 357.909 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 10.68 | -184 | 3 | 4 | 3 | 26 | 359.925 | 2 | ↓ |