UCSF

ZINC09411262

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 No

Popular Name: 5-(4-ethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-ethoxyphenyl)-3-hydroxy-1-[…

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Other Names:

MFCD04007554

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) 1.97 4.45 -67.02 1 7 -1 99 416.475 10 ↓
Mid Mid (pH 6-8) 1.38 -3.84 -15.39 1 7 0 93 417.483 10 ↓
Lo Low (pH 4.5-6) 1.97 3.63 -19.91 2 7 0 96 417.483 10 ↓

Activity (Go SEA)

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