UCSF

ZINC16741381

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 No

Popular Name: (5S)-1-allyl-5-(4-allyloxyphenyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5H-pyrrol-2-one (5S)-1-allyl-5-(4-allyloxyphenyl…

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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) 4.53 10.16 -13.3 1 6 0 76 433.504 10 ↓
Mid Mid (pH 6-8) 3.95 10.85 -19.05 0 6 0 73 433.504 10 ↓

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