UCSF

ZINC00702140

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 23 Yes

Popular Name: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-methyl-; 8-Bromo-6-(2-chlorophenyl)-1-methyl-4H-s-triazolo(4,3-a)-1,4-benzodiazepine; BRN 4550445; LS-156304 4H-(1,2,4)Triazolo(4,3-a)(1,4)be…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.05 9.42 -12.1 0 4 0 43 387.668 1 ↓
Lo Low (pH 4.5-6) 3.05 10.34 -35.53 1 4 1 45 388.676 1 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )