In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2006 | 25 | No |
Popular Name: 3-(4-bromophenyl)-5-(4-nitrophenyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-3,7,9-triene 3-(4-bromophenyl)-5-(4-nitrophen…
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) | 3.87 | 13.06 | -17.27 | 0 | 7 | 0 | 89 | 398.22 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.87 | 13.58 | -43.97 | 1 | 7 | 1 | 90 | 399.228 | 3 | ↓ |