UCSF

ZINC36118549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 34 Yes

Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(3,4,5-trimethoxyphenyl)benzamide 4-[[(3,4-dioxo-2-pyrrolidin-1-yl…

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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) -0.89 2.61 -47.16 3 9 1 113 466.514 7 ↓
Hi High (pH 8-9.5) 2.69 4.98 -18.25 2 9 0 110 465.506 8 ↓
Mid Mid (pH 6-8) -0.89 3.4 -29.94 2 9 0 115 465.506 7 ↓
Mid Mid (pH 6-8) -0.89 4.24 -118.38 4 9 2 114 467.522 7 ↓
Mid Mid (pH 6-8) -0.89 3.97 -27.33 2 9 0 115 465.506 7 ↓

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

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