UCSF

ZINC13986675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 Yes

Popular Name: 2,6-dichloro-N-[4-chloro-3-(2-dimethylaminoethoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide 2,6-dichloro-N-[4-chloro-3-(2-di…

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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) 5.50 8.98 -49.02 1 5 0 62 491.746 8 ↓
Hi High (pH 8-9.5) 5.50 6.52 -36.1 0 5 -1 61 490.738 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UTS2-1-E Urotensin-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 121 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UTS2_RAT Q9QZQ4 Urotensin-2, Rat 121 0.33 Binding ≤ 1μM
UTS2_RAT Q9QZQ4 Urotensin-2, Rat 121 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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

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