UCSF

ZINC06144554

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 34 Yes

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

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Other Names:

MFCD03545789

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) 1.70 7.72 -18.79 3 10 0 123 464.526 9 ↓
Mid Mid (pH 6-8) 1.88 8.02 -49.88 4 10 1 128 465.534 9 ↓
Lo Low (pH 4.5-6) 1.70 8.05 -45.08 4 10 1 125 465.534 9 ↓

Activity (Go SEA)

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