UCSF

ZINC01386748

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-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate methyl 6-amino-5-cyano-2-(2-meth…

Find On: PubMed — Wikipedia — Google

CAS Number: 865660-06-6

Other Names:

MFCD04125297

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) 2.91 5.02 -16.23 2 7 0 111 396.321 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 132 KeyOrganics

Activity (Go SEA)

Rings

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

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