UCSF

ZINC06144557

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 32 Yes

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

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Other Names:

MFCD03545790

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) 2.11 7.83 -16.21 3 9 0 114 434.5 8 ↓
Mid Mid (pH 6-8) 2.29 8.46 -47.33 4 9 1 119 435.508 8 ↓
Lo Low (pH 4.5-6) 2.11 8.16 -42.61 4 9 1 115 435.508 8 ↓

Activity (Go SEA)

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