UCSF

ZINC00538440

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 No

Popular Name: Thiamphenicol Thiamphenicol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15318-45-3 , 847-25-6

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) -0.36 -7.65 -16.88 3 6 0 103 356.227 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.27e+00 g/l DrugBank-experimental
Therapy antibacterial SMDC Iconix
Patent Database Links EP1452533; EP1884520; US2007196396 ChEBI
UniProt Database Links PHB2_HUMAN; PHB_HUMAN ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50212-1-O Escherichia Coli (cluster #1 Of 7), Other Other 400 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50212 Z50212 Escherichia Coli 400 0.43 Functional ≤ 10μM

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