UCSF

ZINC58541660

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 35 No

Popular Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methylsulfanyl-4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)ox 1-[4-chloro-3-(trifluoromethyl)p…

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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) 5.49 5.79 -45.57 3 8 0 113 521.908 6 ↓
Mid Mid (pH 6-8) 5.49 5.34 -51.62 2 8 -1 112 520.9 6 ↓

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

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