In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2006 | 16 | Yes |
Popular Name: 8-(4-bromophenyl)-5,7,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene 8-(4-bromophenyl)-5,7,9-triazabi…
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) | 3.46 | 6.9 | -12.79 | 1 | 3 | 0 | 42 | 274.121 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.46 | 7.18 | -38.82 | 2 | 3 | 1 | 43 | 275.129 | 1 | ↓ |