UCSF

ZINC54931446

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-cycloheptyl-N-methyl-azetidin-3-amine N-cycloheptyl-N-methyl-azetidin-…

Find On: PubMed — Wikipedia — Google

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) 2.39 5.2 -111.86 3 2 2 21 184.327 2 ↓
Hi High (pH 8-9.5) 2.39 0.86 -0.86 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 2.39 3.51 -32.15 2 2 1 16 183.319 2 ↓
Mid Mid (pH 6-8) 2.39 2.55 -36.86 2 2 1 20 183.319 2 ↓

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

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