UCSF

ZINC69905909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 32 Yes

Popular Name: 3-butyl-8-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-purine-2,6-dione 3-butyl-8-[[5-chloro-1-(2-methox…

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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) 3.30 10.13 -11.55 1 9 0 100 476.99 9 ↓
Lo Low (pH 4.5-6) 3.30 10.59 -42.82 2 9 1 101 477.998 9 ↓

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

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