UCSF

ZINC12496790

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 31 Yes

Popular Name: 1alpha,25-Dihydroxyvitamin D2 1alpha,25-Dihydroxyvitamin D2

Find On: PubMed — Wikipedia — Google

CAS Numbers: 60133-18-8 , [60133-18-8]

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) 4.81 7.29 -5.61 3 3 0 61 428.657 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80437-1-O RWLeu4 (cluster #1 Of 1), Other Other 13 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80437 Z80437 RWLeu4 13 0.36 Functional ≤ 10μM

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