UCSF

ZINC04474617

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 30 Yes

Popular Name: Maxacalcitol Maxacalcitol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103909-75-7 , [103909-75-7]

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) 4.38 5.09 -6.22 3 4 0 70 418.618 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81117-2-O Keratinocytes (Keratinocytes) (cluster #2 Of 2), Other Other 23 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81117 Z81117 Keratinocytes (Keratinocytes) 22.6 0.36 Functional ≤ 10μM

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