UCSF

ZINC65493215

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: N,5-dimethyl-N-[[3-(2-pyridyl)isoxazol-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxa N,5-dimethyl-N-[[3-(2-pyridyl)is…

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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) 0.62 7.34 -58.65 1 8 1 81 353.406 4 ↓
Mid Mid (pH 6-8) 0.62 4.95 -17.86 0 8 0 80 352.398 4 ↓
Lo Low (pH 4.5-6) 0.62 7.75 -99.5 2 8 2 83 354.414 4 ↓

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

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