UCSF

ZINC09244209

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 No

Popular Name: 3-hydroxy-4-(4-isobutoxybenzoyl)-5-(2-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-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) 3.44 7.68 -59.55 0 8 -1 91 493.58 10 ↓
Mid Mid (pH 6-8) 3.89 10.36 -53.29 2 8 1 90 495.596 9 ↓
Mid Mid (pH 6-8) 2.86 1.02 -48.56 1 8 1 86 495.596 10 ↓
Mid Mid (pH 6-8) 3.44 10.07 -67.77 1 8 0 93 494.588 10 ↓

Activity (Go SEA)

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