UCSF

ZINC36119031

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: N-isopentyl-4-[[[2-(4-methyl-1-piperidyl)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]cyclohexanecarboxam N-isopentyl-4-[[[2-(4-methyl-1-p…

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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) 0.38 5.14 -34.6 3 6 1 85 404.575 6 ↓
Mid Mid (pH 6-8) 0.38 5 -21.89 2 6 0 88 403.567 6 ↓
Mid Mid (pH 6-8) 0.38 5.91 -18.99 2 6 0 88 403.567 6 ↓

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Rings

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

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