UCSF

ZINC36119150

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methylamino]-4-morpholino-cyclobut-3-ene-1,2-dione 3-[[4-(4-methylpiperidine-1-carb…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) -1.82 5.83 -32.53 2 7 1 82 404.531 4 ↓
Hi High (pH 8-9.5) -1.19 4.07 -18.2 1 7 0 88 403.523 3 ↓
Mid Mid (pH 6-8) -1.19 3.47 -37.74 2 7 1 85 404.531 3 ↓

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

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