UCSF

ZINC36118577

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 Yes

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

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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) -0.65 4.53 -45.23 3 7 1 102 418.473 5 ↓
Hi High (pH 8-9.5) -0.65 5.32 -32.83 2 7 0 105 417.465 5 ↓
Hi High (pH 8-9.5) 2.94 6.25 -23.65 2 7 0 99 417.465 6 ↓
Mid Mid (pH 6-8) -0.65 5.52 -117.81 4 7 2 104 419.481 5 ↓

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

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