| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 27 | No |
Popular Name: S-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl] S-[[8-chloro-6-(2-chlorophenyl)-…
| 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) | 3.69 | 10.24 | -12.45 | 0 | 5 | 0 | 60 | 417.321 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.69 | 11.16 | -38.27 | 1 | 5 | 1 | 62 | 418.329 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4231930; US4264499 | IBM Patent Data |
