UCSF

ZINC38803626

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 35 No

CAS Number: [182138-70-1]

Other Names:

MFCD05260675

Nyssoside

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) -0.17 -2.63 -13.12 4 13 0 188 490.373 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50347-3-O Saccharomyces Cerevisiae (cluster #3 Of 3), Other Other 341 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50347 Z50347 Saccharomyces Cerevisiae 1120 0.24 Functional ≤ 10μM

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