UCSF

ZINC03977781

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 34 No

Popular Name: Methylprednisolone hemisuccinate Methylprednisolone hemisuccinate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2375-03-3 , 2921-57-5 , [2375-03-3] , [2921-57-5]

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) 2.04 8.95 -122.64 2 8 0 141 473.542 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0331471A1; EP0331471B1 IBM Patent Data
therap glucocorticoid, antiinflammatory MicroSource Spectrum
PUBCHEM_PATENT_ID US4440764 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-11-O Rattus Norvegicus (cluster #11 Of 12), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 0.1 0.41 Functional ≤ 10μM

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