UCSF

ZINC67225951

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 34 Yes

Popular Name: 6-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-(4-ethylpiperazin-1-yl)thiazolo[4,5-d]pyrimidin-7-one 6-[2-(4-benzylpiperazin-1-yl)-2-…

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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) 1.41 11.58 -61.37 1 9 1 79 482.634 6 ↓
Mid Mid (pH 6-8) 1.41 9.38 -24.14 0 9 0 78 481.626 6 ↓
Mid Mid (pH 6-8) 1.41 13.8 -110.58 2 9 2 80 483.642 6 ↓
Mid Mid (pH 6-8) 1.41 11.58 -66.21 1 9 1 79 482.634 6 ↓

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Rings

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

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