UCSF

ZINC57935001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 Yes

Popular Name: 3-butyl-8-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-7-methyl-purine-2,6-dione 3-butyl-8-(imidazo[1,5-a]pyridin…

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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) 2.27 9.74 -12.28 1 8 0 90 384.465 6 ↓
Lo Low (pH 4.5-6) 2.27 10.22 -42.22 2 8 1 91 385.473 6 ↓

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

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