UCSF

ZINC38690790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 22 Yes

Popular Name: Domoic Acid Domoic Acid

Find On: PubMed — Wikipedia — Google

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) -0.91 8.77 -141.9 2 7 -2 137 309.318 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.59e-01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0177245A2; EP0177245B1; EP0424179A2; EP0424179A3; EP0497884A1; EP0509819A1; EP0516132A1; EP0661973A1; EP0996440A1; EP1002535A1; EP1021418A1; US4644063; US5180665; US5202257; US5250546; US5264556; US5306466; US5334618; US5430175; US5438130; US5455279; US IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.