UCSF

ZINC36119235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 Yes

Popular Name: N-(3,4-dimethoxyphenyl)-4-[[[3,4-dioxo-2-(1-piperidyl)cyclobuten-1-yl]amino]methyl]cyclohexanecarbox N-(3,4-dimethoxyphenyl)-4-[[[3,4…

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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) -0.18 3.34 -42.23 3 8 1 103 456.563 6 ↓
Mid Mid (pH 6-8) -0.18 4.09 -29.49 2 8 0 106 455.555 6 ↓
Mid Mid (pH 6-8) -0.18 5.1 -26.59 2 8 0 106 455.555 6 ↓

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

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