UCSF

ZINC02516281

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 7 Yes

Popular Name: 2-Amino-3-butenoic acid 2-Amino-3-butenoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105763-41-5 , 52773-87-2 , 52795-52-5 , [52773-87-2] , [56512-51-7]

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 -1.58 -43.66 3 3 0 67 101.105 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.71e+00 g/l DrugBank-experimental

Activity (Go SEA)

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

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