In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 32 | 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) | 4.91 | 13.2 | -12.58 | 0 | 5 | 0 | 60 | 479.392 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.91 | 14.12 | -38.25 | 1 | 5 | 1 | 62 | 480.4 | 5 | ↓ |