In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2009 | 17 | Yes |
Popular Name: (3S)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]quinuclidin-3-amine (3S)-N-[(1R,2R,3S)-2,3-dimethylc…
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) | 3.14 | 8.27 | -106.52 | 3 | 2 | 2 | 21 | 238.419 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 5.84 | -34.32 | 2 | 2 | 1 | 20 | 237.411 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 7.71 | -31.65 | 2 | 2 | 1 | 16 | 237.411 | 2 | ↓ |