UCSF

ZINC54931589

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-methyl-N-[2-(4-pyridyl)ethyl]azetidin-3-amine N-methyl-N-[2-(4-pyridyl)ethyl]a…

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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) 0.49 2.36 -40.85 2 3 1 33 192.286 4 ↓
Hi High (pH 8-9.5) 0.49 0.7 -4.08 1 3 0 28 191.278 4 ↓
Mid Mid (pH 6-8) 0.49 2.81 -81.78 3 3 2 34 193.294 4 ↓
Mid Mid (pH 6-8) 0.49 4.64 -120.67 3 3 2 34 193.294 4 ↓
Lo Low (pH 4.5-6) 0.49 2.97 -41.68 2 3 1 29 192.286 4 ↓

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

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