UCSF

ZINC65526833

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 28 No

Popular Name: (3aS)-5-[(5R)-5H-purin-6-yl]-N-(2-pyridylmethyl)-3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-2-ca (3aS)-5-[(5R)-5H-purin-6-yl]-N-(…

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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) -0.93 4.19 -14.86 2 10 0 110 377.412 4 ↓
Lo Low (pH 4.5-6) -0.93 4.89 -89.71 4 10 2 113 379.428 4 ↓
Lo Low (pH 4.5-6) -0.93 4.48 -48.1 3 10 1 112 378.42 4 ↓

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

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