UCSF

ZINC03861133

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 29 Yes

Popular Name: brucine brucine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4845-99-2, 357-57-3 [brucine] , 652154-10-4 , CAS# 357-57-3 , [5786-96-9]

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) 1.46 7.32 -63.58 1 6 1 52 395.479 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.85 Bitter DB
Therapy central stimulant SMDC Pharmakon
Target Others Selleck Chemicals

Activity (Go SEA)

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