UCSF

ZINC36118873

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 Yes

Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(2-methoxyphenyl)cyclohexanecarboxa 4-[[(3,4-dioxo-2-pyrrolidin-1-yl…

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Vendors

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) -0.32 3.63 -33.74 3 7 1 94 412.51 5 ↓
Hi High (pH 8-9.5) -0.32 4.55 -21.75 2 7 0 97 411.502 5 ↓
Mid Mid (pH 6-8) -0.32 4.83 -106.32 4 7 2 96 413.518 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.