UCSF

ZINC00645580

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

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

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Other Names:

MFCD03545757

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) 3.54 10.32 -14.23 2 9 0 103 458.503 4 ↓
Hi High (pH 8-9.5) 3.72 10.16 -41.35 1 9 -1 105 457.495 4 ↓

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