UCSF

ZINC03860772

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 5,6,7,8-tetrahydronaphthalen-1-ol 5,6,7,8-tetrahydronaphthalen-1-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 529-35-1 , 90-15-3 , [529-35-1]

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) 3.08 4.21 -3.73 1 1 0 20 148.205 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 264-265?/705mm Alfa-Aesar
BP 264-265°/705 mm Oakwood Chemical
Boiling_Point 264-265°/705mm Alfa-Aesar
MP 68 - 70 Enamine Building Blocks
MP 68...70 Enamine Building Blocks
MP 69 - 71 Enamine Building Blocks
Melting_Point 69-71? Alfa-Aesar
Melting_Point 69-71° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO1986006368A1; WO2000076970A2; WO2000077027A2 IBM Patent Data

Activity (Go SEA)

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