| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 14 | Yes |
Popular Name: 3-[(2R,6S)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]propan-1-amine 3-[(2R,6S)-4-azatricyclo[5.2.1.0…
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CAS Number: 1849150-31-7
| 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) | 1.27 | 5.09 | -102.37 | 4 | 2 | 2 | 32 | 194.322 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 4.72 | -31.25 | 3 | 2 | 1 | 30 | 193.314 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 2.56 | -40.88 | 3 | 2 | 1 | 31 | 193.314 | 3 | ↓ |
| 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.
