UCSF

ZINC52508021

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: methyl 6-oxo-5H,6H-pyrrolo[1,2-a]quinoxaline-3-carboxylate methyl 6-oxo-5H,6H-pyrrolo[1,2-a…

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CAS Number: 1006385-87-0

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) 1.78 5.59 -13.04 1 5 0 64 242.234 2 ↓
Lo Low (pH 4.5-6) -2.14 5.14 -41.17 1 5 1 63 243.242 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 256 - 257 (Dec) KeyOrganics
MP 256-257°(dec) Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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