In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 18 | Yes |
Popular Name: 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane 5,8-dimethyl-1,5,8,12-tetrazabic…
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) | 0.70 | 2.17 | -88.81 | 2 | 4 | 2 | 15 | 256.438 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.70 | -1.07 | -1.03 | 0 | 4 | 0 | 13 | 254.422 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 1.85 | -34.74 | 1 | 4 | 1 | 14 | 255.43 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.70 | -1.14 | -30.32 | 1 | 4 | 1 | 14 | 255.43 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.70 | 4.64 | -200.34 | 3 | 4 | 3 | 17 | 257.446 | 0 | ↓ |