UCSF

ZINC28462254

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 19 Yes

Popular Name: 2,2,12,12-tetramethyltridecane-1,13-diol 2,2,12,12-tetramethyltridecane-1…

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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) 5.44 6.13 -6.09 2 2 0 40 272.473 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 4000 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 4000 0.40 Functional ≤ 10μM

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