UCSF

ZINC54672248

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 26 Yes

Popular Name: [(7S)-7-(2-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-methylpipera [(7S)-7-(2-hydroxyphenyl)-5-meth…

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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) 1.21 6.09 -13.34 2 8 0 87 354.414 2 ↓
Hi High (pH 8-9.5) 1.21 6.84 -63.12 1 8 -1 89 353.406 2 ↓

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