UCSF

ZINC01386053

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 26 Yes

Popular Name: 2-chloro-4-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)pyrido[2,3-b]pyrazin-3(4H)-one 2-chloro-4-(2-{[3-chloro-5-(trif…

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CAS Number: 338411-94-2

Other Names:

MFCD00793082

Download: MOL2 SDF SMILES Flexibase

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) 3.24 7.38 -36.84 2 6 1 74 405.187 5 ↓
Lo Low (pH 4.5-6) 3.24 7.58 -103.45 3 6 2 75 406.195 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 147 - 150 KeyOrganics

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Rings

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

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