UCSF

ZINC66863387

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 27 Yes

Popular Name: 1,3-dimethyl-7-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-[4-(2-pyridyl)…

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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) 0.78 8.64 -37.99 1 9 1 82 370.437 4 ↓
Mid Mid (pH 6-8) 0.78 8.32 -14.72 0 9 0 81 369.429 4 ↓
Mid Mid (pH 6-8) 0.78 10.54 -54.56 1 9 1 82 370.437 4 ↓
Lo Low (pH 4.5-6) 0.78 10.85 -107.45 2 9 2 84 371.445 4 ↓

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Rings

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

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