UCSF

ZINC58342359

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 30 Yes

Popular Name: 2-[4-(1-tert-butyl-4,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetam 2-[4-(1-tert-butyl-4,5-dihydropy…

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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) 2.28 9.26 -36.98 3 8 1 79 414.509 5 ↓
Mid Mid (pH 6-8) 2.28 9.31 -17.53 2 8 0 78 413.501 5 ↓
Lo Low (pH 4.5-6) 2.28 11.44 -114.02 4 8 2 81 415.517 5 ↓

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

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