UCSF

ZINC54418217

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 23 Yes

Popular Name: 6-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(6-fluoro-3,4-dihydro-2H-quin…

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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) 1.79 7.48 -15.15 1 6 0 67 313.336 2 ↓
Hi High (pH 8-9.5) 2.25 5.26 -43.55 0 6 -1 70 312.328 2 ↓
Lo Low (pH 4.5-6) 1.79 8.07 -52.71 2 6 1 68 314.344 2 ↓

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

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