UCSF

ZINC01384535

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 No

Popular Name: methyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate methyl 6-amino-4-(1,3-benzodioxo…

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CAS Number: 861211-20-3

Other Names:

MFCD04124981

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) 1.93 4.83 -14.77 2 9 0 130 372.333 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 217 - 219 KeyOrganics

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Rings

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