UCSF

ZINC26468553

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 46 No

Popular Name: LS-191961 LS-191961

Find On: PubMed — Wikipedia — Google

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) -1.85 -4.62 -92.12 16 17 2 300 658.846 23 ↓
Mid Mid (pH 6-8) -1.85 -4.98 -53.19 15 17 1 298 657.838 23 ↓
Mid Mid (pH 6-8) -1.98 -4.63 -53.02 15 17 1 301 657.838 22 ↓

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 4000 0.16 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 4000 0.16 Functional ≤ 10μM

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

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