UCSF

ZINC13732205

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 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) 3.40 4.38 -10.24 2 6 0 77 317.341 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80901-1-O HaCaT (Keratinocytes) (cluster #1 Of 2), Other Other 1500 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80901 Z80901 HaCaT (Keratinocytes) 1500 0.35 Functional ≤ 10μM

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