UCSF

ZINC68954786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 12 Yes

Popular Name: [(2S)-1-cyclobutyl-2-piperidyl]methanamine [(2S)-1-cyclobutyl-2-piperidyl]m…

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) 0.70 4.89 -110.22 4 2 2 32 170.3 2 ↓
Mid Mid (pH 6-8) 0.70 2.62 -40.32 3 2 1 31 169.292 2 ↓
Mid Mid (pH 6-8) 0.70 4.16 -26.57 3 2 1 30 169.292 2 ↓

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

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