| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]quinuclidin-3-amine (3R)-3-(aminomethyl)-N-methyl-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) | 0.75 | 3.53 | -111.11 | 4 | 4 | 2 | 45 | 269.433 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 3.41 | -27.15 | 3 | 4 | 1 | 43 | 268.425 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 3.98 | -35.51 | 3 | 4 | 1 | 43 | 268.425 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 1.55 | -44.53 | 3 | 4 | 1 | 43 | 268.425 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.75 | 3.96 | -111.5 | 4 | 4 | 2 | 45 | 269.433 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
