UCSF

ZINC00224909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 3-METHYL-7-PROPYLXANTHINE 3-METHYL-7-PROPYLXANTHINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 55242-64-3 , [55242-64-3]

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) -0.07 4.41 -10.96 1 6 0 73 208.221 2 ↓
Mid Mid (pH 6-8) -0.07 4.9 -47.87 2 6 1 74 209.229 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 256 - 258 Enamine Building Blocks
MP 256...258 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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