UCSF

ZINC01795563

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 34 Yes

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

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Other Names:

MFCD03847183

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) 2.56 8.67 -15.3 3 9 0 111 467.501 8 ↓
Mid Mid (pH 6-8) 2.74 9.25 -53.05 4 9 1 115 468.509 8 ↓

Activity (Go SEA)

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