UCSF

ZINC36119361

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 Yes

Popular Name: 4-[[[3,4-dioxo-2-(1-piperidyl)cyclobuten-1-yl]amino]methyl]-N-[(1S,2R)-2-methylcyclohexyl]cyclohexan 4-[[[3,4-dioxo-2-(1-piperidyl)cy…

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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) -0.01 8.87 -33.49 3 6 1 81 416.586 5 ↓
Hi High (pH 8-9.5) 0.63 7.13 -19.78 2 6 0 88 415.578 4 ↓

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Rings

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

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