UCSF

ZINC36119420

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 Yes

Popular Name: 4-[[[3,4-dioxo-2-(1-piperidyl)cyclobuten-1-yl]amino]methyl]-N-[(1R)-1-(2-thienyl)propyl]cyclohexanec 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) 0.84 5.97 -32.87 3 6 1 85 444.621 6 ↓
Hi High (pH 8-9.5) 0.84 6.74 -18.65 2 6 0 88 443.613 6 ↓

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Rings

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

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