UCSF

ZINC13652137

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 24 Yes

Popular Name: (3R)-3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-3H-benzofuran-5-amine (3R)-3-(4-isopropylphenyl)-2,2,4…

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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) 6.28 10.81 -5.47 2 2 0 35 323.48 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 290 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 290 0.38 Functional ≤ 10μM

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