In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 20 | Yes |
Popular Name: (2R,3aS,7aS)-N-[(3S)-quinuclidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-[(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) | 2.64 | 6.03 | -92.52 | 4 | 4 | 2 | 50 | 279.428 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 4.87 | -42.17 | 3 | 4 | 1 | 46 | 278.42 | 2 | ↓ |