UCSF

ZINC56871237

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 20 Yes

Popular Name: 466-81-9; C06532; beta-Erythroidine 466-81-9; C06532; beta-Erythroidine

Find On: PubMed — Wikipedia — Google

CAS Number: 466-81-9

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) 1.55 4.37 -8.32 0 4 0 39 273.332 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5604198; US5670477 IBM Patent Data

Activity (Go SEA)

Rings

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

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