UCSF

ZINC25510944

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 Yes

Popular Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[(2-chloro-6-fluoro-phenyl)methyl]p 2-[[4-amino-5-(2-fluorophenyl)-1…

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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) 3.38 9.46 -17.39 2 7 0 80 478.956 6 ↓
Mid Mid (pH 6-8) 3.38 11.79 -47.68 3 7 1 81 479.964 6 ↓

Activity (Go SEA)

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