UCSF

ZINC13783880

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 10 No

Popular Name: (3R)-3-bromo-3,4,4-trimethyl-1,2-dioxido-diazete-1,2-diium (3R)-3-bromo-3,4,4-trimethyl-1,2…

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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) 1.93 0.71 -18.86 0 4 0 58 209.043 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-7-O Homo Sapiens (cluster #7 Of 9), Other Other 10000 0.70 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 10000 0.70 Functional ≤ 10μM

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

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