UCSF

ZINC01384541

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 No

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

Find On: PubMed — Wikipedia — Google

CAS Number: 547769-52-8

Other Names:

MFCD04124987

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) 2.48 3.09 -11.44 2 7 0 111 342.351 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 157 KeyOrganics

Activity (Go SEA)

Rings

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