UCSF

ZINC09373744

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 No

Popular Name: 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-isopropoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one 1-[2-(dimethylamino)ethyl]-3-hyd…

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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) 2.54 8.01 -75.78 2 8 0 104 454.523 9 ↓
Hi High (pH 8-9.5) 2.54 5.48 -60.39 1 8 -1 102 453.515 9 ↓
Mid Mid (pH 6-8) 1.96 -0.44 -51.3 2 8 1 97 455.531 9 ↓
Mid Mid (pH 6-8) 2.99 7.05 -49.76 3 8 1 101 455.531 8 ↓

Activity (Go SEA)

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