UCSF

ZINC35367869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 No

Popular Name: 2-[4-(5-amino-2-pyridyl)piperazin-1-yl]acetonitrile 2-[4-(5-amino-2-pyridyl)piperazi…

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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) 0.47 2.52 -33.4 3 5 1 70 218.284 2 ↓
Mid Mid (pH 6-8) 0.47 2.22 -9.31 2 5 0 69 217.276 2 ↓
Lo Low (pH 4.5-6) 0.47 4.76 -102.03 4 5 2 72 219.292 2 ↓
Lo Low (pH 4.5-6) 0.47 4.45 -48.68 3 5 1 70 218.284 2 ↓

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

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