UCSF

ZINC02025160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 14 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) 4.62 9.79 -45.84 0 2 -1 40 197.298 8

Vendor Notes

Note Type Comments Provided By
biological_use Fungicide IBScreen Bioactives
mechanism Inhibitor of mitochondrial aldehyde dehydrogenase IBScreen Bioactives

Activity (Go SEA)

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