UCSF

ZINC09507076

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 39 No

Popular Name: 5-(4-allyloxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one 5-(4-allyloxyphenyl)-3-hydroxy-1…

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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) 5.41 13.12 -42.36 0 7 -1 88 526.609 13 ↓
Mid Mid (pH 6-8) 5.86 11.62 -30.96 1 7 0 85 527.617 12 ↓
Mid Mid (pH 6-8) 4.83 12.6 -26.14 0 7 0 82 527.617 13 ↓

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