UCSF

ZINC08433263

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 38 No

Popular Name: 4-[4-(allyloxy)-2-methylbenzoyl]-5-(4-tert-butylphenyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)-2-methylbenzoyl]…

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Other Names:

MFCD03461844

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.04 1.34 -50.78 2 7 1 80 519.662 10 ↓
Mid Mid (pH 6-8) 5.48 0.95 -63.65 2 7 1 80 519.662 9 ↓
Mid Mid (pH 6-8) 4.45 1.17 -61.12 1 7 1 77 519.662 10 ↓

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