UCSF

ZINC09374972

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 28 No

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

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Other Names:

MFCD04016980

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) 2.45 5.62 -67.84 1 6 -1 90 400.476 9 ↓
Mid Mid (pH 6-8) 2.90 -2.48 -24.12 2 6 0 87 401.484 8 ↓
Mid Mid (pH 6-8) 1.65 7.69 -40.29 1 5 1 43 331.484 4 ↓
Mid Mid (pH 6-8) 1.65 5.48 -4.9 0 5 0 41 330.476 4 ↓

Activity (Go SEA)

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