| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2006 | 17 | Yes |
Popular Name: 3-bromo-8-(4-chlorophenyl)-5,7,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene 3-bromo-8-(4-chlorophenyl)-5,7,9…
| 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) | 4.28 | 6.97 | -35.7 | 0 | 3 | -1 | 40 | 307.558 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 7.4 | -6.65 | 1 | 3 | 0 | 42 | 308.566 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 7.81 | -32.13 | 2 | 3 | 1 | 43 | 309.574 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | 7.66 | -36.77 | 2 | 3 | 1 | 43 | 309.574 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | 8.06 | -103.31 | 3 | 3 | 2 | 44 | 310.582 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4772600; US4824951; US4873251; US4914109; US4948800 | IBM Patent Data |
