UCSF

ZINC08384173

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 33 No

Popular Name: 5-[3-(allyloxy)phenyl]-3-hydroxy-1-(2-methoxyethyl)-4-(4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-3-hydroxy…

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Other Names:

MFCD04148037

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) 3.98 9.04 -61.19 0 7 -1 88 450.511 12 ↓
Mid Mid (pH 6-8) 3.39 0.09 -22.59 0 7 0 82 451.519 12 ↓
Mid Mid (pH 6-8) 4.42 -0.2 -28.63 1 7 0 85 451.519 11 ↓

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