UCSF

ZINC00057341

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: METHOCARBAMOL METHOCARBAMOL

Find On: PubMed — Wikipedia — Google

CAS Number: 532-03-6

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) 0.45 -1.29 -12.84 3 6 0 91 241.243 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.21e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Target Carbonic Anhydrase Selleck Chemicals
PUBCHEM_PATENT_ID EP0093436A2; EP0105361A1; EP0105804A2; EP0105804B1; EP0126684A2; EP0126684B1; EP0153836A2; EP0194112A1; EP0251905A2; EP0251905B1; EP0265116A2; EP0265116B1; EP0341745A1; EP0341745B1; EP0342557A1; EP0342557B1; EP0345787A2; EP0345787B1; EP0386960A2; EP040318 IBM Patent Data
Therapy muscle relaxant (skeletal) SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : G-5430; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: G-5430; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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