UCSF

ZINC49067093

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 26 Yes

Popular Name: phenethyl phenethyl

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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) 3.63 13.19 -13.31 0 4 0 47 351.446 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S12A5-1-E Solute Carrier Family 12 Member 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S12A5_RAT Q63633 Solute Carrier Family 12 Member 5, Rat 10000 0.27 Functional ≤ 10μM

Rings

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

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