UCSF

ZINC17957833

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 16 No

Popular Name: 5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thiol 5-(4-tert-butylphenyl)-1,3,4-oxa…

Find On: PubMed — Wikipedia — Google

CAS Number: 306936-90-3

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) 4.03 3.02 -40.6 0 3 -1 39 233.316 2 ↓
Lo Low (pH 4.5-6) 3.30 3.8 -8.5 1 3 0 42 234.324 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 157-158? Alfa-Aesar
Melting_Point 157-158° Alfa-Aesar
melting_point 161 - 163 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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