UCSF

ZINC03793144

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 14 No

Popular Name: SNAP SNAP

Find On: PubMed — Wikipedia — Google

CAS Numbers: 152971-80-7 , 67776-06-1

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) -1.63 2.46 -50.7 1 6 -1 99 219.242 5 ↓

Vendor Notes

Note Type Comments Provided By
Therapy muscle relaxant (smooth) SMDC MicroSource
therap muscle relaxant (smooth), vasodilator MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 476 0.63 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 475.5 0.63 Functional ≤ 10μM

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

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