UCSF

ZINC00896724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 9 Yes

Popular Name: 2-Methylbenzyl alcohol 2-Methylbenzyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89-95-2 , [89-95-2]

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) 1.68 2.57 -4.41 1 1 0 20 122.167 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 219 TCI
Boiling_Point 219? Alfa-Aesar
Boiling_Point 219° Alfa-Aesar
MP 33 - 36 Enamine Building Blocks
M.P 33-36 °C Indofine
Melting_Point 33-37? Alfa-Aesar
Melting_Point 33-37° Alfa-Aesar
MP 33...36 Enamine Building Blocks
MP 36 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1993021168A1 IBM Patent Data

Activity (Go SEA)

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

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