UCSF

ZINC00013247

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 24 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) 0.52 3.11 -19.21 1 7 0 81 338.293 6

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 3250 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50442 Z50442 Candida Albicans 3250 0.32 Functional ≤ 10μM

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