UCSF

ZINC38573745

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 No

Popular Name: (9aS)-2-isopentyl-4,7-dimethyl-9aH-purino[7,8-a]imidazole-1,3-dione (9aS)-2-isopentyl-4,7-dimethyl-9…

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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) 1.14 9.2 -10.1 0 7 0 71 289.339 3 ↓
Lo Low (pH 4.5-6) 1.14 9.66 -29.22 1 7 1 72 290.347 3 ↓

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

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