UCSF

ZINC09424208

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 27 No

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

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Other Names:

MFCD04022164

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) 2.32 4.83 -65.39 1 6 -1 90 451.318 8 ↓
Mid Mid (pH 6-8) 1.74 5.16 -20.2 1 6 0 84 452.326 8 ↓
Mid Mid (pH 6-8) 2.77 4.22 -29.08 2 6 0 87 452.326 7 ↓

Activity (Go SEA)

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