UCSF

ZINC67997331

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 25 Yes

Popular Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide N-[(2R)-2-(dimethylamino)-2-(2-t…

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Vendors

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) 1.97 9.01 -49.17 3 8 1 91 360.467 7 ↓
Mid Mid (pH 6-8) 1.97 6.44 -16.84 2 8 0 90 359.459 7 ↓

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

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