UCSF

ZINC13483685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 16 Yes

Popular Name: 4-o-Tolyl-tetrahydro-pyran-4-carboxylic acid 4-o-Tolyl-tetrahydro-pyran-4-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3648-77-9 , [3648-77-9]

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) 2.01 5.53 -47.62 0 3 -1 49 219.26 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 170 - 172 Enamine Building Blocks
MP 170...172 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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