| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 24 | No |
Popular Name: [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanethiol [8-chloro-6-(2-chlorophenyl)-4H-…
| 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) | 3.23 | 9.16 | -10.22 | 0 | 4 | 0 | 43 | 375.284 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 9.71 | -46.65 | 0 | 4 | -1 | 43 | 374.276 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 10.1 | -35.43 | 1 | 4 | 1 | 45 | 376.292 | 2 | ↓ |
