UCSF

ZINC04164578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 36 No

Popular Name: Betamethasone 17,21-dipropionate Betamethasone 17,21-dipropionate

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CAS Number: 5593-20-4

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) 4.18 12.14 -15.62 1 7 0 107 504.595 8 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% APIChem
Therapy glucocorticoid, antiinflammatory SMDC Pharmakon
Indications metabolite KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_RAT P06536 Glucocorticoid Receptor, Rat 5.25 0.32 Binding ≤ 1μM
GCR_RAT P06536 Glucocorticoid Receptor, Rat 5.25 0.32 Binding ≤ 10μM

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