UCSF

ZINC36118673

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(m-tolyl)benzamide 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) -0.10 4.71 -37.33 3 6 1 85 390.463 4 ↓
Hi High (pH 8-9.5) -0.10 5.5 -23.15 2 6 0 88 389.455 4 ↓
Hi High (pH 8-9.5) 3.49 6.51 -14.18 2 6 0 82 389.455 5 ↓
Mid Mid (pH 6-8) -0.10 5.78 -111.47 4 6 2 87 391.471 4 ↓

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

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