UCSF

ZINC13545395

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 No

Popular Name: 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carbothioamide 3-(2-chloro-6-fluorophenyl)-5-me…

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CAS Number: 175204-42-9

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) 2.79 5.64 -17.04 2 3 0 52 270.716 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 176° Oakwood Chemical

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Rings

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