UCSF

ZINC05425416

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 19 Yes

Popular Name: 5,5'-Methylenebis(benzotriazole) 5,5'-Methylenebis(benzotriazole)

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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) 2.55 3.27 -17.55 2 6 0 83 250.265 2 ↓
Hi High (pH 8-9.5) 2.55 3.14 -46.22 1 6 -1 81 249.257 2 ↓
Hi High (pH 8-9.5) 2.55 3.38 -46.05 1 6 -1 81 249.257 2 ↓
Hi High (pH 8-9.5) 2.55 3.29 -15.96 2 6 0 83 250.265 2 ↓
Mid Mid (pH 6-8) 2.55 3.4 -13.41 2 6 0 83 250.265 2 ↓
Mid Mid (pH 6-8) 2.55 3.39 -14.63 2 6 0 83 250.265 2 ↓

Activity (Go SEA)

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