UCSF

ZINC36119174

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]cyclohexanecarboxami 4-[[(2-morpholino-3,4-dioxo-cycl…

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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) -0.62 3.65 -24.31 2 7 0 97 425.529 5 ↓
Mid Mid (pH 6-8) -0.62 2.88 -39.74 3 7 1 94 426.537 5 ↓
Mid Mid (pH 6-8) -0.62 3.64 -31.7 3 7 1 94 426.537 5 ↓

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Rings

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

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