UCSF

ZINC19736929

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 10 Yes

Popular Name: Methyl 3-(allylamino)propanoate Methyl 3-(allylamino)propanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37732-74-4 , [37732-74-4]

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) 0.22 3.56 -43.36 2 3 1 43 144.194 6 ↓
Hi High (pH 8-9.5) 0.22 2.14 -5.35 1 3 0 38 143.186 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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