In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2010 | 8 | Yes |
Popular Name: 2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene (9CI) 2,8-Diazabicyclo[4.2.0]octa-1,3,…
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CAS Number: 578006-80-1
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) | 0.48 | 2.19 | -27.16 | 2 | 2 | 1 | 26 | 107.136 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.48 | 1.67 | -6.55 | 1 | 2 | 0 | 25 | 106.128 | 0 | ↓ |