UCSF

ZINC65525890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 26 Yes

Popular Name: [(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-4-yl]-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazol-4-y [(1R,6S)-4,9-diazabicyclo[4.2.1]…

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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) 2.47 7.99 -41.39 2 6 1 68 386.423 3 ↓
Hi High (pH 8-9.5) 2.47 6.68 -8.44 1 6 0 63 385.415 3 ↓

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

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