UCSF

ZINC67956348

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: [6-(4-piperidyl)pyrimidin-4-yl]BLAH [6-(4-piperidyl)pyrimidin-4-yl]BLAH

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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) 2.90 9.78 -47.14 2 4 1 46 313.469 2 ↓
Mid Mid (pH 6-8) 2.90 10.44 -96.63 3 4 2 47 314.477 2 ↓

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Rings

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

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