UCSF

ZINC54931441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

Popular Name: 1-(azetidin-3-yl)-N,N-dimethyl-piperidin-4-amine 1-(azetidin-3-yl)-N,N-dimethyl-p…

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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) 0.40 0.72 -32.9 2 3 1 20 184.307 2 ↓
Mid Mid (pH 6-8) 0.40 0.97 -33.47 2 3 1 20 184.307 2 ↓
Mid Mid (pH 6-8) 0.40 2.66 -82.15 3 3 2 24 185.315 2 ↓
Lo Low (pH 4.5-6) 0.40 3.16 -95.21 3 3 2 21 185.315 2 ↓

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Rings

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

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