UCSF

ZINC04093384

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 30 No

Popular Name: 4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(2,5-dimethylphenyl)-hydroxy-…

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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) 2.13 9.27 -67.04 0 6 -1 86 398.442 5 ↓
Lo Low (pH 4.5-6) 2.13 8.38 -17.63 1 6 0 83 399.45 5 ↓

Activity (Go SEA)

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