UCSF

ZINC00049141

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: Sulfamethoxypyridazine Sulfamethoxypyridazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2577-32-4 , 80-35-3 , [2577-32-4] , [80-35-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.77 -1.3 -51.87 2 7 -1 109 279.301 4 ↓
Mid Mid (pH 6-8) 0.77 -1.15 -15.25 3 7 0 107 280.309 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.503 Bitter DB
MP 182 TCI
Mp [°C] 182 - 183 Acros Organics
Therapy antibacterial SMDC Pharmakon
Target Antifection Selleck Chemicals
biological_use Antiseptic IBScreen Bioactives IBScreen Bioactives
mechanism Dihydrofolate reductase inhibitor IBScreen Bioactives IBScreen Bioactives
mechanism Folate antagonist IBScreen Bioactives
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
biological_use Long-acting sulfonamide used for treatment of systemic infections. IBScreen Bioactives
biological_use Low acute toxicity IBScreen Bioactives
Target Others Selleck Chemicals
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R37/38: Irritating to respiratory system and skin. Acros Organics
R phrase R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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