UCSF

ZINC09459130

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 No

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

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Other Names:

MFCD03779708

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) 2.88 6.75 -41.83 1 7 -1 99 489.342 10 ↓
Mid Mid (pH 6-8) 3.32 4.83 -32.55 2 7 0 96 490.35 9 ↓
Mid Mid (pH 6-8) 2.29 5.85 -25.18 1 7 0 93 490.35 10 ↓
Mid Mid (pH 6-8) 0.84 5.24 -36.84 2 5 1 56 290.387 3 ↓

Activity (Go SEA)

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