UCSF

ZINC13125360

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 No

Popular Name: 1-[7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone 1-[7-(4-hydroxy-3-methoxyphenyl)…

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CAS Number: 380466-92-2

Other Names:

MFCD01871430

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) 0.91 6.72 -10.9 2 7 0 89 300.318 3 ↓
Mid Mid (pH 6-8) 1.08 7.55 -57.55 3 7 1 94 301.326 3 ↓
Mid Mid (pH 6-8) 1.08 7.73 -43.94 3 7 1 94 301.326 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 246 - 248 KeyOrganics

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