| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: 1-[(3S)-quinuclidin-3-yl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3S)-quinuclidin-3-yl]-2,3,4,…
| 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) | 2.06 | 6.98 | -102.12 | 3 | 3 | 2 | 24 | 259.397 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 5.69 | -35.6 | 2 | 3 | 1 | 20 | 258.389 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 4.55 | -40.66 | 2 | 3 | 1 | 23 | 258.389 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
