UCSF

ZINC00065445

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Popular Name: ethyl 5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate ethyl 5-methyl-7-phenyl-4,7-dihy…

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CAS Numbers: , 329795-91-7

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) 2.26 10.92 -11.01 1 6 0 69 284.319 4 ↓
Lo Low (pH 4.5-6) 2.44 11.39 -51.19 2 6 1 74 285.327 4 ↓

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