UCSF

ZINC01384931

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 No

Popular Name: 4-{[(4-chlorobenzyl)oxy]amino}[1,2,4]triazolo[4,3-a]quinoxaline 4-{[(4-chlorobenzyl)oxy]amino}[1…

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CAS Number: 245039-35-4

Download: MOL2 SDF SMILES Flexibase

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) 3.58 1.06 -12.67 1 6 0 64 325.759 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 330 KeyOrganics

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Rings

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

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