UCSF

ZINC00020236

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 15 Yes

Popular Name: Tulobuterol hydrochloride Tulobuterol hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 41570-61-0 , 56776-01-3

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.73 4.36 -33.57 3 2 1 37 228.743 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Indications bronchodilator KeyOrganics Bioactives
Therapy bronchodilator, beta adrenergic agonist SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-9-O Plasmodium Falciparum (cluster #9 Of 22), Other Other 6310 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3981.07171 0.50 Functional ≤ 10μM

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