| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2012 | 9 | Yes |
Popular Name: 2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptanedi-trifluoro-acetic acid salt 2-Ethyl-2,5-diaza-bicyclo[2.2.1]…
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CAS Number: 1208077-97-7
| 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) | 0.84 | 3.05 | -27.96 | 2 | 2 | 1 | 16 | 127.211 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 1.56 | -34.23 | 2 | 2 | 1 | 20 | 127.211 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 0.65 | -1.42 | 1 | 2 | 0 | 15 | 126.203 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.