UCSF

ZINC00399128

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 9 Yes

Popular Name: n-acetyl-beta-alanine n-acetyl-beta-alanine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3025-95-4 , [3025-95-4]

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) -1.02 -1.51 -50.86 1 4 -1 69 130.123 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 73-76o C Indofine
Melting_Point 77? Alfa-Aesar
Melting_Point 77° Alfa-Aesar
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
SOLUBILITY Store at 0-5 C Indofine

Activity (Go SEA)

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

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