UCSF

ZINC01381964

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 26 Yes

Popular Name: 4-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione 4-(2-{[3-chloro-5-(trifluorometh…

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CAS Number: 338772-96-6

Other Names:

MFCD00793071

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Annotations

None

Vendors

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) 1.44 -0.49 -39.78 3 7 1 93 386.741 5 ↓
Lo Low (pH 4.5-6) 1.44 -0.37 -107.54 4 7 2 95 387.749 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 269 - 271 KeyOrganics

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Rings

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

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