UCSF

ZINC40564933

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 32 Yes

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) 5.61 10.09 -7.74 2 4 0 67 444.656 7

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 6 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81117 Z81117 Keratinocytes (Keratinocytes) 6.3 0.36 Functional ≤ 10μM

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