UCSF

ZINC02534432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 Yes

Popular Name: Bicyclo[2.2.1]heptan-2-ol Bicyclo[2.2.1]heptan-2-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1632-68-4 , 36779-79-0 , 497-36-9 , 497-37-0 , [1632-68-4]

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) 1.21 1.9 -2.23 1 1 0 20 112.172 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 124 - 126 Enamine Building Blocks
MP 124...126 Enamine Building Blocks
MP 128 TCI
Mp [°C] 148 - 154 Acros Organics
BP 177 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0570593A1; EP0570593B1; EP0647647A1; US5459067; US5523437 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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