UCSF

ZINC03831235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 Yes

Popular Name: Nylidrin hydrochloride Nylidrin hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 447-41-6 , 849-55-8 , 849-55-8, 447-41-6 , [849-55-8]

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) 3.41 5.71 -44.46 4 3 1 57 300.422 7 ↓
Hi High (pH 8-9.5) 3.41 4.65 -5.78 3 3 0 52 299.414 7 ↓

Vendor Notes

Note Type Comments Provided By
Therapy beta Adrenoceptor agonist; peripheral vasodilator SMDC Iconix
therap vasodilator (peripheral) MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3162 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2511.88643 0.36 Functional ≤ 10μM

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