UCSF

ZINC32070628

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 29 Yes

Popular Name: 3-(2-hydroxyethoxymethyl)-7-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,3,5]triazino[1,2-a]purin-10 3-(2-hydroxyethoxymethyl)-7-[2-(…

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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) 1.45 4.88 -19.46 2 10 0 107 400.439 8 ↓
Mid Mid (pH 6-8) 1.63 5.45 -45.32 3 10 1 112 401.447 8 ↓
Mid Mid (pH 6-8) 1.14 2.62 -54.65 1 10 -1 113 399.431 8 ↓

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

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