UCSF

ZINC27332249

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 19 Yes

Popular Name: (4aR,10aR)-6-methoxy-4-methyl-9-methylsulfanyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine (4aR,10aR)-6-methoxy-4-methyl-9-…

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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) 2.35 4.91 -5.43 0 3 0 22 279.405 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50588-2-O Canis Familiaris (cluster #2 Of 7), Other Other 23 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50588 Z50588 Canis Familiaris 23 0.56 Functional ≤ 10μM

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