UCSF

ZINC29213970

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 19 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) 3.95 7.12 -32.61 0 5 -1 86 276.655 3
Lo Low (pH 4.5-6) 3.95 6.31 -15.26 1 5 0 83 277.663 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50535-1-O Acanthocheilonema Viteae (cluster #1 Of 1), Other Other 330 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50535 Z50535 Acanthocheilonema Viteae 330 0.48 Functional ≤ 10μM

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