UCSF

ZINC05116023

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 17 Yes

Popular Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,8-dimethyl-3-(2-methylpropyl)-; BRN 1132431; D 4160; LS-126918; Xanthine, 1,8-dimethyl-3-isobutyl- 1H-Purine-2,6-dione, 3,7-dihydro…

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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) 1.21 5.05 -9.52 1 6 0 73 236.275 2 ↓
Mid Mid (pH 6-8) 1.21 5.5 -41.95 2 6 1 74 237.283 2 ↓

Activity (Go SEA)

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