UCSF

ZINC28004633

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 17 Yes

Popular Name: 4-methoxy-2-phenethyl-phenol 4-methoxy-2-phenethyl-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) 3.89 6.43 -6.84 1 2 0 29 228.291 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 120 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 120 0.57 Functional ≤ 10μM

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