UCSF

ZINC00002645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 16 Yes

Popular Name: Irsogladine maleate Irsogladine maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57381-26-1 , 57381-26-7 , 57381-28-9 , 57381-28-9; 84504-69-8 , 84504-69-8

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) 2.31 7.44 -6.92 4 5 0 91 256.096 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 99% APIChem
Target AChR,PDE Selleck Chemicals
Therapy anti-ulcer SMDC Iconix
Indications antiulcerative KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01510i; 1 maleic acid NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01510i; SALT: 1 maleic acid NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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