UCSF

ZINC25509987

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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-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[(2-chloro-6-fluoro-phenyl)methyl]p 2-[[4-amino-5-(2-chlorophenyl)-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) 3.90 9.88 -15.75 2 7 0 80 495.411 6 ↓
Mid Mid (pH 6-8) 3.90 12.21 -46.03 3 7 1 81 496.419 6 ↓

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