UCSF

ZINC45028273

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 8 Yes

Popular Name: 3-AMINOOXETANE-3-CARBOXYLIC ACID 3-AMINOOXETANE-3-CARBOXYLIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 138650-24-5 , 1803590-41-1 , [138650-24-5]

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) -3.11 -1.38 -35.77 3 4 0 77 117.104 1 ↓
Hi High (pH 8-9.5) -3.11 -1.65 -39.32 2 4 -1 75 116.096 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 205-210? Alfa-Aesar
Melting_Point 205-210° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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

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