UCSF

ZINC21298127

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 20 No

Popular Name: Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate Methyl 4-(butyrylamino)-3-methyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 152628-01-8 , [152628-01-8]

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) 2.99 7.14 -9.31 1 7 0 101 280.28 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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