UCSF

ZINC09357684

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 32 No

Popular Name: 3-hydroxy-4-(4-isobutoxybenzoyl)-1-(2-methoxyethyl)-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxybenzoyl)…

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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) 3.55 8.83 -63.5 0 7 -1 88 438.5 10 ↓
Mid Mid (pH 6-8) 4.00 9.22 -16.85 1 7 0 85 439.508 9 ↓
Mid Mid (pH 6-8) 2.97 1.51 -11.75 0 7 0 82 439.508 10 ↓

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