UCSF

ZINC19288194

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 27 Yes

Popular Name: Phthalylsulfathiazole Phthalylsulfathiazole

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CAS Number: 85-73-4

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
Mid Mid (pH 6-8) 3.10 6.38 -71.36 2 8 -1 132 402.433 5 ↓

Vendor Notes

Note Type Comments Provided By
mechanism Folic acid biosynthesis antagonist ZereneX Building Blocks
Molecular_Solubility 4.836 Bitter DB
Purity 98.5-101.5% ; BP98 APIChem
Therapy antibacterial SMDC Pharmakon
biological_use Antibacterial (intestinal) agent IBScreen Bioactives IBScreen Bioactives
biological_use Antiseptic IBScreen Bioactives
mechanism Folic acid biosynthesis antagonist IBScreen Bioactives

Activity (Go SEA)

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

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