UCSF

ZINC00949737

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 Yes

Popular Name: 7-(3-bromophenyl)-5-methyl-N-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 7-(3-bromophenyl)-5-methyl-N-(3-…

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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) 2.54 10.33 -9.84 2 7 0 85 411.263 3 ↓
Lo Low (pH 4.5-6) -1.20 -1.78 -42.84 3 7 1 86 412.271 3 ↓
Lo Low (pH 4.5-6) 2.72 10.87 -57.72 3 7 1 89 412.271 3 ↓

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

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