UCSF

ZINC36118561

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-[(1R)-1-phenylethyl]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) -0.26 5.02 -36.64 3 6 1 85 404.49 5 ↓
Hi High (pH 8-9.5) -0.26 5.81 -22.4 2 6 0 88 403.482 5 ↓
Hi High (pH 8-9.5) 3.32 6.82 -13.42 2 6 0 82 403.482 6 ↓
Mid Mid (pH 6-8) -0.26 6.08 -110.59 4 6 2 87 405.498 5 ↓

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

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