UCSF

ZINC01386057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 28 Yes

Popular Name: 5-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4(5H)-one 5-(2-{[3-chloro-5-(trifluorometh…

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CAS Number: 338412-01-4

Other Names:

MFCD00793086

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) 2.07 9.87 -44.61 2 8 1 91 410.767 5 ↓
Lo Low (pH 4.5-6) 2.07 10.06 -116.03 3 8 2 93 411.775 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 258 - 260 KeyOrganics

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Rings

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

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