UCSF

ZINC26896060

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 14 Yes

Popular Name: 3-benzyl-3-azabicyclo[3.1.0]hexan-6-amine 3-benzyl-3-azabicyclo[3.1.0]hexa…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1394662-71-5 , 151860-17-2 , 155748-81-5 , [155748-81-5]

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) 1.85 5.68 -31.16 3 2 1 30 189.282 2 ↓
Mid Mid (pH 6-8) 1.85 5.93 -115.46 4 2 2 32 190.29 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 214 - 216 Enamine Building Blocks
MP 214...216 Enamine Building Blocks
MP 229 - 231 Enamine Building Blocks
MP 229...231 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO2000038680A1 IBM Patent Data

Activity (Go SEA)

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