UCSF

ZINC40448616

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 22 Yes

Popular Name: tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate tert-Butyl 1H-spiro[isoquinoline…

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CAS Numbers: 857898-70-5 , 889139-52-0 , [857898-70-5] , [889139-52-0]

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) 2.47 8.04 -41.98 2 4 1 46 303.426 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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