UCSF

ZINC65311645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 25 Yes

Popular Name: N-[[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-N-methyl-butan-1 N-[[7-(4-ethylpiperazin-1-yl)-5-…

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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) 2.12 13.5 -92.87 2 7 2 55 347.511 7 ↓
Hi High (pH 8-9.5) 2.12 8.98 -12.27 0 7 0 53 345.495 7 ↓
Mid Mid (pH 6-8) 2.12 11.28 -37.41 1 7 1 54 346.503 7 ↓

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

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