UCSF

ZINC06144546

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 33 Yes

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

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Other Names:

MFCD03545778

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) 1.32 6.84 -15.8 3 10 0 123 450.499 8 ↓
Mid Mid (pH 6-8) 1.50 7.37 -55.23 4 10 1 128 451.507 8 ↓
Lo Low (pH 4.5-6) 1.32 7.13 -45.27 4 10 1 125 451.507 8 ↓

Activity (Go SEA)

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