UCSF

ZINC71790438

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 15 Yes

Popular Name: 3-benzyl-3-azabicyclo[4.1.0]heptan-1-ol 3-benzyl-3-azabicyclo[4.1.0]hept…

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CAS Number: 1354952-70-7

Other Names:

MFCD20502094

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) 1.91 5.54 -38.83 2 2 1 25 204.293 2 ↓
Hi High (pH 8-9.5) 1.91 3.39 -3.76 1 2 0 23 203.285 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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