UCSF

ZINC68954782

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(3R)-1-cyclobutyl-3-piperidyl]methanamine [(3R)-1-cyclobutyl-3-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) 0.58 4.63 -97.98 4 2 2 32 170.3 2 ↓
Hi High (pH 8-9.5) 0.58 4.25 -29.45 3 2 1 30 169.292 2 ↓
Hi High (pH 8-9.5) 0.58 2.16 -42.65 3 2 1 31 169.292 2 ↓

Activity (Go SEA)

Rings

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

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