UCSF

ZINC36118658

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 0.27 4.02 -43.71 3 8 1 103 464.542 8 ↓
Hi High (pH 8-9.5) 3.86 6.42 -16.03 2 8 0 100 463.534 9 ↓
Mid Mid (pH 6-8) 0.27 4.81 -27.9 2 8 0 106 463.534 8 ↓
Mid Mid (pH 6-8) 0.27 5.68 -112.09 4 8 2 105 465.55 8 ↓
Mid Mid (pH 6-8) 0.27 5.4 -25.05 2 8 0 106 463.534 8 ↓

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

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