UCSF

ZINC18123155

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 11 Yes

Popular Name: 8-AZAXANTHIN 8-AZAXANTHIN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1468-26-4 , 19344-24-2 , [59840-67-4]

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) -0.77 -4.96 -33.74 2 7 -1 110 152.093 0 ↓
Ref Reference (pH 7) -0.77 -5.01 -31.2 2 7 -1 110 152.093 0 ↓
Mid Mid (pH 6-8) -0.77 -6.06 -35.4 2 7 -1 110 152.093 0 ↓
Mid Mid (pH 6-8) -0.31 -6 -94.24 1 7 -2 113 151.085 0 ↓
Mid Mid (pH 6-8) -1.23 -2.99 -11.54 3 7 0 107 153.101 0 ↓
Mid Mid (pH 6-8) -0.77 -4.94 -35.93 2 7 -1 110 152.093 0 ↓
Lo Low (pH 4.5-6) -1.23 -3.06 -7.87 3 7 0 107 153.101 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.64e+00 g/l DrugBank-experimental
Mp [°C] >230 Acros Organics
MP >230°C Indofine
Patent Database Links GB2103617 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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