UCSF

ZINC06136555

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 34 No

Popular Name: 5-(4-allyloxyphenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(4-pyridylmethyl)pyrrolidine-2,3-dion 5-(4-allyloxyphenyl)-4-[hydroxy-…

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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) 3.25 9.07 -61.77 0 7 -1 92 455.49 9 ↓
Mid Mid (pH 6-8) 3.69 0.63 -19.93 1 7 0 88 456.498 8 ↓
Lo Low (pH 4.5-6) 2.66 0.67 -22.46 0 7 0 85 456.498 9 ↓
Lo Low (pH 4.5-6) 3.25 8.7 -45.73 2 7 1 90 457.506 9 ↓

Activity (Go SEA)

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