UCSF

ZINC52507839

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: 3,7-dichloro-1-(2-propoxyethyl)-1H,2H-pyrido[3,4-b]pyrazin-2-one 3,7-dichloro-1-(2-propoxyethyl)-…

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CAS Numbers: 915307-81-2 , [915307-81-2]

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) 2.84 4.49 -5.58 0 5 0 57 302.161 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.110000000000000e+002 - 1.130000000000000e+002 KeyOrganics
melting_point 111 - 113 KeyOrganics
MP 111-113° 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.