UCSF

ZINC01041959

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 12 No

Popular Name: 4-phenyl-4H-1,2,4-triazole-3-thiol 4-phenyl-4H-1,2,4-triazole-3-thiol

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CAS Number: 5373-72-8

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) 1.45 7.2 -45.65 0 3 -1 31 176.224 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 135 - 137 Enamine Building Blocks
MP 172 - 174 Enamine Building Blocks
MP 172...174 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4234705 IBM Patent Data

Activity (Go SEA)

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