UCSF

ZINC69950526

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

Popular Name: 1-tert-butyl-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-4,5-dihydropyrazolo[3,4-d]pyrimidine 1-tert-butyl-6-[4-(2,2-difluoroe…

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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) 1.52 8.08 -31.54 2 6 1 50 327.403 4 ↓
Hi High (pH 8-9.5) 1.52 8.13 -11.38 1 6 0 49 326.395 4 ↓

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Rings

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

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