| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinuclidin-3-amine (3R)-3-(aminomethyl)-N-ethyl-N-[…
| 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) | 0.62 | 2.32 | -112.54 | 4 | 4 | 2 | 45 | 269.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 3.18 | -26.37 | 3 | 4 | 1 | 43 | 268.425 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 0.85 | -40.28 | 3 | 4 | 1 | 43 | 268.425 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 3.29 | -108.03 | 4 | 4 | 2 | 45 | 269.433 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 2.96 | -35.26 | 3 | 4 | 1 | 43 | 268.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
