UCSF

ZINC14419577

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2008 13 Yes

Popular Name: Isoxanthopterin Isoxanthopterin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 529-69-1 , [529-69-1]

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) -0.72 -3.32 -50.87 3 7 -1 121 178.131 0 ↓
Ref Reference (pH 7) -0.72 -3.23 -47.68 3 7 -1 121 178.131 0 ↓
Hi High (pH 8-9.5) -0.26 -5.46 -104.45 2 7 -2 124 177.123 0 ↓
Mid Mid (pH 6-8) -1.17 -1.22 -15.65 4 7 0 118 179.139 0 ↓
Mid Mid (pH 6-8) -0.72 -3.3 -35.4 3 7 -1 121 178.131 0 ↓
Mid Mid (pH 6-8) -0.72 -3.29 -40.5 3 7 -1 121 178.131 0 ↓

Vendor Notes

Note Type Comments Provided By
Therapy Product of xanthine oxidase oxidation of pterin, an enzyme involved in reactive oxygen formation. SMDC MicroSource

Activity (Go SEA)

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

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