UCSF

ZINC52827803

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 6-[(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-on 6-[(8-fluoro-6-methyl-3,4-dihydr…

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Download: MOL2 SDF SMILES Flexibase

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) 2.17 7.79 -13.26 1 6 0 67 327.363 2 ↓
Hi High (pH 8-9.5) 2.62 6.57 -51.68 0 6 -1 70 326.355 2 ↓

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Rings

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

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