UCSF

ZINC05924265

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 18 No

Popular Name: 2-Hydroxy-N-(5-nitrothiazol-2-yl)benzamide 2-Hydroxy-N-(5-nitrothiazol-2-yl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 173903-47-4 , [173903-47-4]

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) 2.45 4.5 -15.06 2 7 0 108 265.25 3 ↓
Hi High (pH 8-9.5) 2.45 5.5 -53.82 1 7 -1 111 264.242 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 90% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-2-O Entamoeba Histolytica (cluster #2 Of 5), Other Other 1229 0.46 Functional ≤ 10μM
Z50461-2-O Leishmania Mexicana (cluster #2 Of 3), Other Other 6190 0.41 Functional ≤ 10μM
Z50467-1-O Trichomonas Vaginalis (cluster #1 Of 3), Other Other 211 0.52 Functional ≤ 10μM
Z50468-1-O Giardia Intestinalis (cluster #1 Of 4), Other Other 716 0.48 Functional ≤ 10μM
Z50473-1-O Plasmodium Berghei (cluster #1 Of 5), Other Other 5240 0.41 Functional ≤ 10μM
Z50606-1-O Hepatitis B Virus (cluster #1 Of 3), Other Other 460 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 1229 0.46 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 716 0.48 Functional ≤ 10μM
Z50606 Z50606 Hepatitis B Virus 150 0.53 Functional ≤ 10μM
Z50461 Z50461 Leishmania Mexicana 6190 0.41 Functional ≤ 10μM
Z50473 Z50473 Plasmodium Berghei 5240 0.41 Functional ≤ 10μM
Z50467 Z50467 Trichomonas Vaginalis 211 0.52 Functional ≤ 10μM

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