UCSF

ZINC03830441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 36 No

Popular Name: Cefotetan Cefotetan

Find On: PubMed — Wikipedia — Google

CAS Numbers: 69712-56-7 , 6971256-7 , 74356-00-6 , [69712-56-7]

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) -2.21 -4.17 -130.71 3 15 -2 225 573.616 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.21e-01 g/l DrugBank-approved
Therapy antibacterial SMDC Pharmakon
PUBCHEM_PATENT_ID EP0154444A1; EP0269246A2; EP0269246B1; EP0290136A2; EP0335378A2; EP0335378B1; EP0368682A1; EP0368682B1; EP0370481A2; EP0370481B1; EP0384410A1; EP0384410B1; EP0391898A1; EP0405316A2; EP0405316A3; EP0411146B1; EP0417290A1; EP0417290B1; EP0418674A1; EP043193 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP0188762c; 2 Sodium NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP0188762c; SALT: 2 Sodium 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.