UCSF

ZINC20264252

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 No

Popular Name: (5S)-5-(3,4-diethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5S)-5-(3,4-diethoxyphenyl)-4-(f…

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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) 2.18 7.36 -65.54 0 9 -1 105 483.541 11 ↓
Mid Mid (pH 6-8) 2.18 9.7 -79.14 1 9 0 106 484.549 11 ↓
Lo Low (pH 4.5-6) 2.18 8.75 -53.32 2 9 1 103 485.557 11 ↓

Activity (Go SEA)

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