UCSF

ZINC29652683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.92 10.29 -41.54 1 4 1 38 344.866 2
Hi High (pH 8-9.5) 3.92 9.88 -10.2 0 4 0 36 343.858 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50442-1-O Candida Albicans (cluster #1 Of 4), Other Other 5300 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50442 Z50442 Candida Albicans 3600 0.32 Functional ≤ 10μM

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