UCSF

ZINC05981752

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 14 No

Popular Name: 4-amino-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(3-methylphenyl)-4H-1,…

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CAS Numbers: , 105576-60-1

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) 2.10 5.84 -47.26 2 4 -1 57 205.266 1 ↓

Vendor Notes

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

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