UCSF

ZINC08436914

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 Yes

Popular Name: 7-(4-cyanophenyl)-N-(4-fluorophenyl)-5-methyl-2-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 7-(4-cyanophenyl)-N-(4-fluorophe…

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Other Names:

MFCD03847181

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) 4.64 13.85 -14.84 2 7 0 96 456.506 4 ↓
Hi High (pH 8-9.5) 4.82 13.51 -36.92 1 7 -1 97 455.498 4 ↓

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