UCSF

ZINC49333036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 16 No

Popular Name: 1-(3-pyrrolidin-1-ylpropyl)piperidin-4-one 1-(3-pyrrolidin-1-ylpropyl)piper…

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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) 1.07 3.37 -38.78 2 4 1 40 226.344 4 ↓
Mid Mid (pH 6-8) 1.07 5.58 -108.76 3 4 2 41 227.352 4 ↓

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

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