UCSF

ZINC36119335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 Yes

Popular Name: 4-[[[3,4-dioxo-2-(1-piperidyl)cyclobuten-1-yl]amino]methyl]-N-[(2-methoxyphenyl)methyl]cyclohexaneca 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) -0.11 3.81 -38.06 3 7 1 94 440.564 6 ↓
Mid Mid (pH 6-8) -0.11 4.59 -25.79 2 7 0 97 439.556 6 ↓
Mid Mid (pH 6-8) -0.11 5.36 -23.64 2 7 0 97 439.556 6 ↓

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Rings

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

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