UCSF

ZINC69518360

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 Yes

Popular Name: 3-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile 3-[4-(4-ethoxypyrimidin-2-yl)pip…

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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) 1.71 8.76 -14.28 0 7 0 82 337.383 4 ↓
Lo Low (pH 4.5-6) 1.71 9.06 -46.81 1 7 1 84 338.391 4 ↓

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

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