UCSF

ZINC09009198

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 34 No

Popular Name: 5-[3-(allyloxy)phenyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-1-[2-(dim…

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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) 3.47 11.28 -72.73 1 7 0 83 462.546 9 ↓
Hi High (pH 8-9.5) 3.47 8.76 -57.21 0 7 -1 82 461.538 9 ↓
Mid Mid (pH 6-8) 3.92 11.58 -45.71 2 7 1 81 463.554 8 ↓
Mid Mid (pH 6-8) 2.89 11.56 -48.26 1 7 1 77 463.554 9 ↓

Activity (Go SEA)

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