UCSF

ZINC20263401

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 33 No

Popular Name: (5S)-4-(4-bromobenzoyl)-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one (5S)-4-(4-bromobenzoyl)-1-(2-die…

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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) 4.90 12.5 -64.65 1 6 0 74 515.448 11 ↓
Hi High (pH 8-9.5) 4.90 10.3 -54.64 0 6 -1 73 514.44 11 ↓
Lo Low (pH 4.5-6) 4.90 11.67 -47.23 2 6 1 71 516.456 11 ↓

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