UCSF

ZINC44995266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 19 Yes

Popular Name: 2-[(2R)-2-(1-piperidyl)propyl]isoindolin-1-imine 2-[(2R)-2-(1-piperidyl)propyl]is…

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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) 1.80 9.3 -93.74 3 3 2 33 259.397 3 ↓
Mid Mid (pH 6-8) 1.80 9.33 -33.17 2 3 1 32 258.389 3 ↓

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Rings

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

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