UCSF

ZINC00645576

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 Yes

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

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Other Names:

MFCD03545748

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) 3.68 11.34 -19.05 2 9 0 103 488.573 7 ↓
Hi High (pH 8-9.5) 3.85 11.2 -46.88 1 9 -1 105 487.565 7 ↓
Lo Low (pH 4.5-6) 3.68 12.06 -45.95 3 9 1 104 489.581 7 ↓

Activity (Go SEA)

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