UCSF

ZINC40448931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 24 Yes

Popular Name: 1'-Boc-1,2-dihydro-5-methoxy-2-oxo-spiro[3H-indole-3,4'-piperidine] 1'-Boc-1,2-dihydro-5-methoxy-2-o…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 752234-64-3 , [752234-64-3]

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 5.72 -9.27 1 6 0 68 332.4 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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