UCSF

ZINC36118888

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 34 Yes

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

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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) 0.07 4.23 -39.39 3 8 1 103 470.59 6 ↓
Mid Mid (pH 6-8) 0.07 5.01 -23.58 2 8 0 106 469.582 6 ↓
Mid Mid (pH 6-8) 0.07 5.81 -21.9 2 8 0 106 469.582 6 ↓

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

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