UCSF

ZINC03882963

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 Yes

Popular Name: 2-[2-(2-quinolyl)vinyl]phenol 2-[2-(2-quinolyl)vinyl]phenol

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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) 4.15 -0.64 -10.37 1 2 0 33 247.297 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECE2-1-E Endothelin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6420 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECE2_HUMAN O60344 Endothelin-converting Enzyme 2, Human 6420 0.38 Binding ≤ 10μM

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

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