UCSF

ZINC13524658

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 Yes

Popular Name: 7-chloro-1,1-dioxo-N-propyl-4H-benzo[e][1,2,4]thiadiazin-3-amine 7-chloro-1,1-dioxo-N-propyl-4H-b…

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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) 2.12 4.25 -19.05 2 5 0 71 273.745 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-3-O Rattus Norvegicus (cluster #3 Of 12), Other Other 2700 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 2700 0.46 Functional ≤ 10μM

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