UCSF

ZINC05725032

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 17 No

Popular Name: 3-Methyl-1-(3'-sulfoamidophenyl)-5-pyrazolone 3-Methyl-1-(3'-sulfoamidophenyl)…

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CAS Numbers: 89-29-2 , [89-29-2]

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) 0.21 -0.08 -24.16 3 6 0 98 253.283 2 ↓
Ref Reference (pH 7) 0.45 0.14 -16.84 2 6 0 93 253.283 2 ↓
Mid Mid (pH 6-8) 0.67 -2.01 -15.4 3 6 0 98 253.283 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 196 TCI
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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