UCSF

ZINC43481798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 25 No

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) 4.01 4.53 -29.39 1 6 0 77 346.427 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80942-1-O HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other Other 8500 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80942 Z80942 HEL (Embryonic Lung Cells) 5200 0.30 Functional ≤ 10μM

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