| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 6th, 2012 | 14 | Yes |
Popular Name: (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2…
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CAS Number: 113451-59-5
| 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) | 1.39 | 4.3 | -42.53 | 2 | 4 | 1 | 46 | 199.274 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 3.01 | -5.71 | 1 | 4 | 0 | 42 | 198.266 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.