UCSF

ZINC03830437

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Cefotaxime sodium Cefotaxime sodium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 60846-23-3 , 63527-52-6 , 64485-93-4 , 64485-93-4, 63527-52-6 [c , 64485-93-4, 63527-52-6 [cefotaxime] , 65715-12-0

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) -0.87 4.39 -68.82 3 12 -1 176 454.466 8 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antibacterial SMDC MicroSource
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3003; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 Sodium NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3003; SALT: 1 Sodium; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B2ZTR6-1-B Beta-lactamase ADC-33 (cluster #1 Of 1), Bacterial Bacteria 500 0.29 Binding ≤ 10μM
D6NSM8-1-B ADC-11 (cluster #1 Of 1), Bacterial Bacteria 2500 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
B2ZTR6_ACIBA B2ZTR6 Beta-lactamase ADC-33, Aciba 500 0.29 Binding ≤ 1μM
D6NSM8_ACIBA D6NSM8 ADC-11, Aciba 2500 0.26 Binding ≤ 10μM
B2ZTR6_ACIBA B2ZTR6 Beta-lactamase ADC-33, Aciba 500 0.29 Binding ≤ 10μM

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