UCSF

ZINC00645591

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

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

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Other Names:

MFCD03545615

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) 4.40 12.67 -12.42 2 7 0 85 448.939 4 ↓
Mid Mid (pH 6-8) 4.58 13.13 -31.94 3 7 1 90 449.947 4 ↓
Lo Low (pH 4.5-6) 4.40 12.7 -42.01 3 7 1 86 449.947 4 ↓

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