UCSF

ZINC01382868

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 Yes

Popular Name: 4-phenoxypyrrolo[1,2-a]quinoxaline 4-phenoxypyrrolo[1,2-a]quinoxaline

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CAS Number: 338401-27-7

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) 4.51 8.48 -10.51 0 3 0 27 260.296 2 ↓
Lo Low (pH 4.5-6) 0.59 7.92 -30.8 0 3 1 26 261.304 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 126 - 128 KeyOrganics

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Rings

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

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