UCSF

ZINC20192915

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5S)-5-(3-allyloxyphenyl)-4-(4-chlorobenzoyl)-1-(3-diethylaminopropyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(3-allyloxyphenyl)-4-(4-c…

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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) 4.79 13.22 -71.79 1 6 0 74 483.008 12 ↓
Lo Low (pH 4.5-6) 4.79 12.4 -50.6 2 6 1 71 484.016 12 ↓

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