UCSF

ZINC01040359

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 25 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) 4.43 10.96 -41.41 1 4 1 38 358.893 2
Hi High (pH 8-9.5) 4.43 10.55 -10 0 4 0 36 357.885 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 4000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50442 Z50442 Candida Albicans 1700 0.32 Functional ≤ 10μM

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