UCSF

ZINC20234250

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

Popular Name: (5S)-5-(3,4-dichlorophenyl)-1-(2-diethylaminoethyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(3,4-dichlorophenyl)-1-(2…

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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) 4.88 12.51 -72.54 1 6 0 74 491.415 10 ↓
Hi High (pH 8-9.5) 4.88 10.3 -55.98 0 6 -1 73 490.407 10 ↓
Lo Low (pH 4.5-6) 4.88 11.69 -56.78 2 6 1 71 492.423 10 ↓

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