UCSF

ZINC00004042

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Vendors

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) 1.12 3.12 -6.56 0 2 0 26 136.198 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 190? Alfa-Aesar
Boiling_Point 190° Alfa-Aesar
MP 77 - 80 Enamine Building Blocks
MP 77...80 Enamine Building Blocks
Melting_Point 83-86? Alfa-Aesar
Melting_Point 83-86° Alfa-Aesar
MP 85-87° Oakwood Chemical
MP 86 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% APIChem
mechanism Apoptosis inhibitor IBScreen Bioactives IBScreen Bioactives
biological_use Bactericidal agent IBScreen Bioactives
biological_use Fragrance and flavouring ingredient IBScreen Bioactives
mechanism Free radicals scavenger IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
Target Neuronal acetylcholine receptor subunit beta-2(P17787)&Intercellular adhesion molecule 1(P05362)&Vascular cell adhesion protein 1(P19320)&Apoptosis regulator BAX(Q07812) Herbal Ingredients Targets
biological_use Neuroprotective IBScreen Bioactives
biological_use Protect against pulmonary fibrosis IBScreen Bioactives
biological_use Protect against renal ischemia/reperfusion injury IBScreen Bioactives IBScreen Bioactives
biological_use Pulmonary vasodilator IBScreen Bioactives
biological_use Shows antiinflammatory activity IBScreen Bioactives

Activity (Go SEA)

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