UCSF

ZINC18557846

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2008 10 Yes

Popular Name: 2,3-Dihydrobenzofuran-5-ol 2,3-Dihydrobenzofuran-5-ol

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CAS Numbers: 40492-52-2 , [40492-52-2]

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) 1.48 1.47 -5.45 1 2 0 29 136.15 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 4000 0.76 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 4000 0.76 Functional ≤ 10μM

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