UCSF

ZINC00406634

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 No

Popular Name: 1-(3,4-dimethylphenyl)-2,5-pyrrolidinedione 1-(3,4-dimethylphenyl)-2,5-pyrro…

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Other Names:

MFCD01024832

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) 0.98 6.3 -12.68 0 3 0 37 203.241 1 ↓
Hi High (pH 8-9.5) 3.04 2.89 -51.58 1 3 -1 48 202.233 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4204970 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-10-O L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other Other 8100 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 8100 0.48 Functional ≤ 10μM

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

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