UCSF

ZINC13114993

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 14 No

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

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CAS Numbers: 33901-36-9 , [33901-36-9]

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) 2.28 4.71 -43.89 1 4 -1 51 206.25 2 ↓
Mid Mid (pH 6-8) 2.28 4.84 -27.14 2 4 0 52 207.258 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 252-254o C Indofine
SOLUBILITY Soluble in Chloroform, Methanol Indofine

Activity (Go SEA)

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