UCSF

ZINC00702685

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 38 No

Popular Name: 4-(4-ethoxybenzoyl)-3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-ethoxybenzoyl)-3-hydroxy-5-…

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Other Names:

MFCD03861386

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) 4.48 11.77 -45.12 0 8 -1 97 522.618 12 ↓
Mid Mid (pH 6-8) 4.93 -0.31 -26.57 1 8 0 94 523.626 11 ↓
Mid Mid (pH 6-8) 3.90 -0.02 -19.45 0 8 0 91 523.626 12 ↓

Activity (Go SEA)

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