UCSF

ZINC69897051

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: 6-[[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-oxo-ethyl]-methyl-amino]pyridine-3-carbonitrile 6-[[2-[4-[(2R)-2-hydroxybutyl]pi…

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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) 0.38 4.08 -14.01 1 7 0 84 331.42 6 ↓
Mid Mid (pH 6-8) 0.38 6.32 -54.53 2 7 1 85 332.428 6 ↓

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

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