UCSF

ZINC44995260

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 15 Yes

Popular Name: 1-[(2S)-2-(1-piperidyl)propyl]pyrrolidin-2-imine 1-[(2S)-2-(1-piperidyl)propyl]py…

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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) 1.69 6.89 -88.97 3 3 2 33 211.353 3 ↓
Hi High (pH 8-9.5) 1.69 4.7 -28.39 2 3 1 32 210.345 3 ↓

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

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