UCSF

ZINC01530950

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 18 Yes

Popular Name: Carisoprodol Carisoprodol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 78-44-4 , [78-44-4]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.18 1.01 -10.35 3 6 0 91 260.334 9 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.784 Bitter DB
ALOGPS_SOLUBILITY 7.92e-01 g/l DrugBank-approved
therap muscle relaxant (skeletal) MicroSource Spectrum
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : C-2801; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: C-2801; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Therapy Skeletal muscle relaxant SMDC Iconix

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