UCSF

ZINC66074443

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 25 Yes

Popular Name: (13-acetoxy-11-oxo-10-oxabicyclo[10.4.0]hexadeca-1(16),12,14-trien-15-yl) (13-acetoxy-11-oxo-10-oxabicyclo…

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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) 3.58 12.1 -15.11 0 6 0 79 348.395 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1110 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MCR_RAT P22199 Mineralocorticoid Receptor, Rat 1110 0.33 Binding ≤ 10μM

Rings

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

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