| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 13 | Yes |
Popular Name: 2-[(2R,6S)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]ethan-1-amine 2-[(2R,6S)-4-azatricyclo[5.2.1.0…
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CAS Number: 1849169-27-2
| 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) | 1.00 | 4.33 | -111.98 | 4 | 2 | 2 | 32 | 180.295 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.79 | -40.82 | 3 | 2 | 1 | 31 | 179.287 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.42 | -1.45 | 2 | 2 | 0 | 29 | 178.279 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 3.94 | -30.3 | 3 | 2 | 1 | 30 | 179.287 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
