UCSF

ZINC68954788

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 0.70 4.28 -107.68 4 2 2 32 170.3 2 ↓
Mid Mid (pH 6-8) 0.70 4.47 -25.24 3 2 1 30 169.292 2 ↓
Mid Mid (pH 6-8) 0.70 2.21 -42.43 3 2 1 31 169.292 2 ↓

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

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