UCSF

ZINC00004317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 17 Yes

Popular Name: Isbufylline Isbufylline

Find On: PubMed — Wikipedia — Google

CAS Number: 90162-60-0

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) 1.19 6.91 -10.82 0 6 0 62 236.275 2 ↓

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
mechanism Adenosine receptor antagonist IBScreen Bioactives IBScreen Bioactives
biological_use Antiasthmatic IBScreen Bioactives
biological_use Bronchodilator IBScreen Bioactives IBScreen Bioactives
mechanism Causes accumulation of cyclic-AMP IBScreen Bioactives
mechanism CNS-stimulant IBScreen Bioactives
mechanism Gastric-secretion stimulator IBScreen Bioactives
mechanism Phosphodiesterase inhibitor IBScreen Bioactives
mechanism Purine antagonist IBScreen Bioactives

Activity (Go SEA)

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