UCSF

ZINC54931484

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 Yes

Popular Name: 1-(azetidin-3-yl)-N-methyl-piperidine-4-carboxamide 1-(azetidin-3-yl)-N-methyl-piper…

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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) -0.14 -0.47 -45.77 3 4 1 49 198.29 2 ↓
Hi High (pH 8-9.5) -0.14 -2.14 -8 2 4 0 44 197.282 2 ↓
Mid Mid (pH 6-8) -0.14 2.02 -122.02 4 4 2 50 199.298 2 ↓
Lo Low (pH 4.5-6) -0.14 0.35 -41.32 3 4 1 46 198.29 2 ↓

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Rings

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

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