In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | Yes |
Popular Name: (3S)-N-[(1S,2R)-2-ethylcyclohexyl]quinuclidin-3-amine (3S)-N-[(1S,2R)-2-ethylcyclohexy…
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) | 3.40 | 8.68 | -105.32 | 3 | 2 | 2 | 21 | 238.419 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 7.97 | -31.87 | 2 | 2 | 1 | 16 | 237.411 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 6.24 | -32.77 | 2 | 2 | 1 | 20 | 237.411 | 3 | ↓ |