UCSF

ZINC36119422

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) -0.02 5.83 -34.84 3 7 1 88 453.607 6 ↓
Mid Mid (pH 6-8) -0.02 6.61 -20.89 2 7 0 91 452.599 6 ↓
Mid Mid (pH 6-8) -0.02 5.65 -25.13 2 7 0 91 452.599 6 ↓
Lo Low (pH 4.5-6) -0.02 6.59 -72.27 4 7 0 89 454.615 6 ↓
Lo Low (pH 4.5-6) -0.02 5.63 -76.79 4 7 0 89 454.615 6 ↓

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Rings

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

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