UCSF

ZINC19737295

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 19 No

Popular Name: 4-isothiocyanato-N-(5-methylisoxazol-3-yl)benzenesulfonamide 4-isothiocyanato-N-(5-methylisox…

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CAS Numbers: , 956576-66-2

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) 2.90 4.41 -44.03 0 6 -1 87 294.337 4 ↓
Lo Low (pH 4.5-6) 2.90 4.35 -13.9 1 6 0 85 295.345 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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