UCSF

ZINC08440553

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Popular Name: 4-[4-(allyloxy)benzoyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-5-(3-eth…

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Other Names:

MFCD03837928

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) 2.78 6.75 -60.61 1 8 -1 108 452.483 11 ↓
Mid Mid (pH 6-8) 3.22 -1.91 -31.81 2 8 0 105 453.491 10 ↓
Mid Mid (pH 6-8) 2.19 -1.68 -25.43 1 8 0 102 453.491 11 ↓

Activity (Go SEA)

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