UCSF

ZINC20986982

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 31 Yes

Popular Name: 2-[[2-(2-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-isobutyl-1,3,4-thi 2-[[2-(2-fluorophenyl)-7-oxo-6H-…

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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) 3.01 9.39 -28.91 2 9 0 118 459.532 7 ↓
Hi High (pH 8-9.5) 3.66 7.59 -107.06 0 9 -2 127 457.516 7 ↓

Activity (Go SEA)

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