In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 13 | Yes |
Popular Name: 2,5-Diazabicyclo[2.2.1]heptane, 2-cyclohexyl- (9CI) 2,5-Diazabicyclo[2.2.1]heptane, …
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CAS Number: 460365-24-6
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) | 2.00 | 3.07 | -36.94 | 2 | 2 | 1 | 20 | 181.303 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 4.03 | -30.66 | 2 | 2 | 1 | 16 | 181.303 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 5.33 | -108.47 | 3 | 2 | 2 | 21 | 182.311 | 1 | ↓ |