UCSF

ZINC67259952

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 27 Yes

Popular Name: 3-[[3-[(2-chlorophenyl)methyl]-7-oxo-triazolo[4,5-d]pyrimidin-6-yl]methyl]benzonitrile 3-[[3-[(2-chlorophenyl)methyl]-7…

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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) 3.76 11.58 -20.13 0 7 0 89 376.807 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.