UCSF

ZINC15839430

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 9 Yes

Popular Name: methyl 3-(methylamino)but-2-enoate methyl 3-(methylamino)but-2-enoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13412-12-9 , [13412-12-9]

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) 0.96 2.46 -6.62 1 3 0 38 129.159 3 ↓
Ref Reference (pH 7) 0.96 2.26 -6.55 1 3 0 38 129.159 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 60-63? Alfa-Aesar
Melting_Point 60-63° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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

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