| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2014 | 15 | Yes |
Popular Name: (1S,4S)2-(4-Fluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane di-trifluoro-acetic acid (1S,4S)2-(4-Fluorobenzyl)-2,5-di…
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CAS Number: 769099-80-1
(1S,4S)-2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane; bis(trifluoroacetic acid)
| 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) | 1.66 | 3.76 | -43.39 | 2 | 2 | 1 | 20 | 207.272 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 2.49 | -2.98 | 1 | 2 | 0 | 15 | 206.264 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.