UCSF

ZINC36119315

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-phenylethyl]cyclohexanecarboxa 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) 0.44 6.09 -29.8 3 6 1 85 424.565 5 ↓
Mid Mid (pH 6-8) 0.44 6.25 -26.28 2 6 0 88 423.557 5 ↓
Mid Mid (pH 6-8) 0.44 6.86 -22.46 2 6 0 88 423.557 5 ↓

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Rings

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

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