UCSF

ZINC05761797

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 26 No

Popular Name: PARECOXIB SODIUM PARECOXIB SODIUM

Find On: PubMed — Wikipedia — Google

CAS Numbers: 198470-85-8 , [198470-84-7] , [198470-85-8]

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) 3.49 5.33 -52.38 0 6 -1 96 369.422 5 ↓
Lo Low (pH 4.5-6) 3.31 7.06 -16.88 1 6 0 89 370.43 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.62e-02 g/l DrugBank-experimental
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP010755P; 1 Sodium NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP010755P; SALT: 1 Sodium NIH Clinical Collection via PubChem

Activity (Go SEA)

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