| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2012 | 12 | Yes |
Popular Name: 9-azatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene hydrochloride 9-azatricyclo[6.2.2.0^{2,7}]dode…
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CAS Number: 111634-86-7
| 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) | 0.96 | 5.58 | -38.2 | 2 | 1 | 1 | 17 | 160.24 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 4.34 | -2.94 | 1 | 1 | 0 | 12 | 159.232 | 0 | ↓ |
| 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.