UCSF

ZINC38577352

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 No

Popular Name: (4R)-N6-[2-(2-thienyl)ethyl]-4H-purine-2,6-diamine (4R)-N6-[2-(2-thienyl)ethyl]-4H-…

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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) 0.53 2.84 -9.89 3 6 0 88 260.326 3 ↓
Hi High (pH 8-9.5) 0.53 1.8 -34.37 2 6 -1 90 259.318 3 ↓
Lo Low (pH 4.5-6) 0.53 2.68 -9.95 3 6 0 91 260.326 4 ↓

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

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