UCSF

ZINC12375026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 11 No

Popular Name: 7-Chloro-1,3-benzoxazole-2-thiol 7-Chloro-1,3-benzoxazole-2-thiol

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CAS Numbers: , 51793-93-2 , [51793-93-2]

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) 2.88 2.31 -42.68 0 2 -1 26 184.627 0 ↓
Lo Low (pH 4.5-6) 2.15 3.38 -15.39 1 2 0 29 185.635 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 260 - 262 Enamine Building Blocks
MP 260...262 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.