UCSF

ZINC36118488

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) -1.05 5.91 -37.49 2 6 1 76 404.49 5 ↓
Hi High (pH 8-9.5) -1.05 6.7 -24.03 1 6 0 79 403.482 5 ↓
Hi High (pH 8-9.5) 2.54 7.71 -15.12 1 6 0 73 403.482 6 ↓
Mid Mid (pH 6-8) -1.05 6.97 -110.55 3 6 2 78 405.498 5 ↓

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Rings

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

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