UCSF

ZINC53552779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 26 Yes

Popular Name: 3,7-dimethyl-8-[2-(2-methylbenzimidazol-1-yl)ethylamino]purine-2,6-dione 3,7-dimethyl-8-[2-(2-methylbenzi…

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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) 0.50 8.34 -18.9 2 9 0 103 353.386 4 ↓
Mid Mid (pH 6-8) 0.50 8.78 -43.49 3 9 1 104 354.394 4 ↓

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

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