UCSF

ZINC36119090

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 Yes

Popular Name: N-butyl-4-[[[2-(4-methyl-1-piperidyl)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]cyclohexanecarboxamide N-butyl-4-[[[2-(4-methyl-1-piper…

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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) 0.16 3.59 -36.28 3 6 1 85 390.548 6 ↓
Mid Mid (pH 6-8) 0.16 4.37 -22.89 2 6 0 88 389.54 6 ↓
Mid Mid (pH 6-8) 0.16 5.3 -19.76 2 6 0 88 389.54 6 ↓

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

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