UCSF

ZINC36118993

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Substance Information

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

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

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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) 0.85 5.31 -41.71 3 7 1 94 454.591 6 ↓
Mid Mid (pH 6-8) 0.85 6.1 -27.55 2 7 0 97 453.583 6 ↓
Mid Mid (pH 6-8) 0.85 6.85 -21.49 2 7 0 97 453.583 6 ↓

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

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