| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2014 | 16 | Yes |
Popular Name: (1S,4s)-(+)-2-(2,4-difluoro-benzyl)-2,5-diaza-bicyclo[2.2.1]heptane 2cf3cooh (1S,4s)-(+)-2-(2,4-difluoro-benz…
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CAS Number: 845866-69-5
| 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) | 2.78 | 4.79 | -43.02 | 2 | 2 | 1 | 20 | 258.172 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 3.53 | -2.08 | 1 | 2 | 0 | 15 | 257.164 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.