UCSF

ZINC19632683

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 21 Yes

Popular Name: CI-888 CI-888

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59828-07-8 , 62929-91-3 , 72332-33-3 , 81262-93-3 , [81262-93-3]

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) 1.66 1.92 -61.15 4 5 0 93 290.363 5 ↓

Vendor Notes

Note Type Comments Provided By
mechanism A long-acting beta-2 Adrenergic receptor agonist IBScreen Bioactives
mechanism Bronchodilator IBScreen Bioactives
biological_use Bronchodilator agent IBScreen Bioactives IBScreen Bioactives
mechanism Bronchodilator IBScreen Bioactives
biological_use Sympathomimetic IBScreen Bioactives

Activity (Go SEA)

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