UCSF

ZINC28471274

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 30 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) 2.32 7.3 -14.95 2 7 0 88 409.486 8

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 7400 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80942 Z80942 HEL (Embryonic Lung Cells) 5000 0.25 Functional ≤ 10μM

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