UCSF

ZINC13551983

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: 5-(4-tert-butylphenyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-tert-butylphenyl)-4-(3,4-di…

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Other Names:

MFCD03683981

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) 4.26 11.53 -67.46 0 8 -1 105 475.521 7 ↓
Mid Mid (pH 6-8) 4.70 10.98 -27.84 1 8 0 102 476.529 6 ↓
Mid Mid (pH 6-8) 3.67 11.8 -17.38 0 8 0 99 476.529 7 ↓

Activity (Go SEA)

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