UCSF

ZINC35367821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 Yes

Popular Name: [4-(5-amino-2-pyridyl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone [4-(5-amino-2-pyridyl)piperazin-…

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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) 1.49 5.61 -35.47 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.49 5.32 -11.48 2 5 0 62 260.341 2 ↓

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Rings

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

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