UCSF

ZINC09380641

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5-(4-tert-butylphenyl)-5H-pyrrol-2-on 3-hydroxy-4-(4-isobutoxy-2-methy…

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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) 5.89 13.5 -42.19 0 6 -1 79 492.636 11 ↓
Mid Mid (pH 6-8) 6.34 12.4 -25.56 1 6 0 76 493.644 10 ↓
Mid Mid (pH 6-8) 5.31 13.61 -18.37 0 6 0 73 493.644 11 ↓

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