UCSF

ZINC20285727

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 Yes

Popular Name: TERT-BUTYL 3-HYDROXYCYCLOBUTYLCARBAMATE TERT-BUTYL 3-HYDROXYCYCLOBUTYLCA…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 154748-63-7 , 389890-42-0 , 389890-43-1 , N/A , [154748-63-7]

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) 2.68 0.51 -52.09 1 4 -1 61 186.231 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 108 - 110 Enamine Building Blocks
MP 108...110 Enamine Building Blocks
MP 111-112° Oakwood Chemical
MP 117 - 119 Enamine Building Blocks
MP 117...119 Enamine Building Blocks
MP 119 - 121 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0651749A1; US5567726; WO1994002477A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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