UCSF

ZINC57994704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 21 Yes

Popular Name: 5-methyl-3-[(2S)-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-2-yl]isoxazole 5-methyl-3-[(2S)-1-pyrido[2,3-b]…

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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) 2.21 6.01 -18.29 0 6 0 68 281.319 2 ↓
Lo Low (pH 4.5-6) 2.21 6.41 -28.91 1 6 1 69 282.327 2 ↓

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

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