UCSF

ZINC09374926

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 27 No

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

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Other Names:

MFCD04012580

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) 1.03 1.89 -66.39 2 7 -1 110 388.421 8 ↓
Mid Mid (pH 6-8) 1.48 -4.98 -20.64 3 7 0 107 389.429 7 ↓
Mid Mid (pH 6-8) 0.45 -5.73 -13.12 2 7 0 104 389.429 8 ↓

Activity (Go SEA)

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