UCSF

ZINC03276944

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 17 No

Popular Name: 5-(4-Chloro-phenyl)-4-(2-methoxy-ethyl)-4H-[1,2,4]triazole-3-thiol 5-(4-Chloro-phenyl)-4-(2-methoxy…

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CAS Number: 26438-54-0

Other Names:

MFCD03966921

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) 2.95 6.85 -41.82 0 4 -1 40 268.749 4 ↓
Mid Mid (pH 6-8) 2.22 7.01 -10.4 1 4 0 43 269.757 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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