UCSF

ZINC03639991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 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) 3.82 7.13 -36.33 2 1 1 17 206.353 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80249-2-O MDCK (Kidney Cells) (cluster #2 Of 2), Other Other 3300 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80249 Z80249 MDCK (Kidney Cells) 3300 0.51 Functional ≤ 10μM

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