UCSF

ZINC13451491

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 35 No

Popular Name: (5S)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-morpholinopropyl)-5-(2-thienyl)-5H-pyrrol-2-one (5S)-3-hydroxy-4-(4-isobutoxy-3-…

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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) 3.98 9 -58.65 0 7 -1 82 497.637 10 ↓
Mid Mid (pH 6-8) 4.43 10.25 -62.44 2 7 1 81 499.653 9 ↓
Mid Mid (pH 6-8) 3.98 11.32 -79.45 1 7 0 83 498.645 10 ↓

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