UCSF

ZINC01566185

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 7 Yes

Popular Name: (S)-2-Aminobut-3-enoic acid (S)-2-Aminobut-3-enoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2149-70-4 , 52773-87-2 , 70982-53-5 , 75266-38-5 , [52773-87-2] , [56512-51-7] , [70982-53-5]

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) -2.39 -1.84 -40.84 3 3 0 67 101.105 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.50e+02 g/l DrugBank-experimental
Purity 95% Fluorochem

Activity (Go SEA)

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

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