UCSF

ZINC13524686

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 19 Yes

Popular Name: 7-chloro-N-(1-ethylpropyl)-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-3-amine 7-chloro-N-(1-ethylpropyl)-1,1-d…

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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) 2.99 5.38 -19.1 2 5 0 71 301.799 4 ↓

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 4500 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 4500 0.39 Functional ≤ 10μM

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