UCSF

ZINC16713618

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 No

Popular Name: (5S)-4-benzoyl-5-(4-benzyloxy-3-methoxy-phenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one (5S)-4-benzoyl-5-(4-benzyloxy-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) 3.87 11.05 -64.17 0 7 -1 88 486.544 11 ↓
Mid Mid (pH 6-8) 4.32 10.43 -30.65 1 7 0 85 487.552 10 ↓
Mid Mid (pH 6-8) 3.29 11.44 -22.45 0 7 0 82 487.552 11 ↓

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