UCSF

ZINC01386744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 No

Popular Name: methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(1-naphthyl)-4H-pyran-3-carboxylate methyl 6-amino-5-cyano-2-(2-meth…

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CAS Number: 865660-04-4

Other Names:

MFCD04125294

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) 2.72 2.88 -12.85 2 7 0 111 378.384 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 195 - 197 KeyOrganics

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Rings

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

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