| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 23 | Yes |
Popular Name: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine 8-chloro-6-(2-fluorophenyl)-1-me…
| 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) | 2.40 | 8.98 | -13.54 | 0 | 4 | 0 | 43 | 326.762 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 9.91 | -36.44 | 1 | 4 | 1 | 45 | 327.77 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3987052; US4000151; US4000153; US5334592 | IBM Patent Data |
