UCSF

ZINC67172415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 21 Yes

Popular Name: 4-(3-fluoro-4-methylphenyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide 4-(3-fluoro-4-methylphenyl)-2H-p…

Find On: PubMed — Wikipedia — Google

CAS Number: [1325303-39-6]

Other Names:

MFCD19104934

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) 1.75 2.15 -50.16 0 6 -1 86 306.298 1 ↓
Mid Mid (pH 6-8) 1.75 2.53 -49.05 1 6 0 87 307.306 1 ↓

Activity (Go SEA)

Rings

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

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