UCSF

ZINC27898152

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 14 Yes

Popular Name: (2S)-1-[2-(1-hydroxyethyl)phenoxy]propan-2-ol (2S)-1-[2-(1-hydroxyethyl)phenox…

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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) 1.24 0.65 -7.48 2 3 0 50 196.246 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80083-1-O CEM-VCR 1000 (cluster #1 Of 1), Other Other 1560 0.58 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80083 Z80083 CEM-VCR 1000 1560 0.58 Functional ≤ 10μM

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