| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (3R,4S)-4-methyl-1-[(3S)-quinuclidin-3-yl]piperidin-3-amine (3R,4S)-4-methyl-1-[(3S)-quinucl…
| 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) | 0.74 | 5.37 | -100.61 | 4 | 3 | 2 | 35 | 225.38 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 1.15 | -1.07 | 2 | 3 | 0 | 32 | 223.364 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 1.47 | -41.5 | 3 | 3 | 1 | 34 | 224.372 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 3.89 | -95.43 | 4 | 3 | 2 | 35 | 225.38 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 5.67 | -204.48 | 5 | 3 | 3 | 37 | 226.388 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
