UCSF

ZINC06507052

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 22 Yes

Popular Name: Xanthinol nicotinate Xanthinol nicotinate

Find On: PubMed — Wikipedia — Google

CAS Number: 437-74-1

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) -1.18 2.42 -46.45 3 9 1 107 312.35 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : X6750; 1 nicotinic acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: X6750; SALT: 1 nicotinic acid NIH Clinical Collection via PubChem

Activity (Go SEA)

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