UCSF

ZINC64539060

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 37 Yes

Popular Name: 1-(2-fluoroethyl)-8-[5-piperazin-1-yl-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazo 1-(2-fluoroethyl)-8-[5-piperazin…

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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) 2.10 7.29 -55.57 5 10 1 128 521.499 8 ↓
Hi High (pH 8-9.5) 2.10 6 -11.08 4 10 0 123 520.491 8 ↓

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

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