UCSF

ZINC36119152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 Yes

Popular Name: N-(4-ethoxyphenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]cyclohexanecarboxamide N-(4-ethoxyphenyl)-4-[[(2-morpho…

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Download: MOL2 SDF SMILES Flexibase

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) -0.45 2.73 -26.01 2 8 0 106 441.528 6 ↓
Hi High (pH 8-9.5) -0.45 3.69 -20.5 2 8 0 106 441.528 6 ↓
Mid Mid (pH 6-8) -0.45 2.87 -33.15 3 8 1 103 442.536 6 ↓
Mid Mid (pH 6-8) -0.45 1.94 -41.55 3 8 1 103 442.536 6 ↓

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Rings

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

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