UCSF

ZINC20219572

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 28 No

Popular Name: (5S)-5-(4-bromophenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5S)-5-(4-bromophenyl)-1-(3-dime…

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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) 2.20 9.57 -74.49 1 6 0 78 444.329 7 ↓
Lo Low (pH 4.5-6) 2.20 8.75 -54.91 2 6 1 75 445.337 7 ↓

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