UCSF

ZINC00088446

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: 2-{4-nitro-2-methyl-1H-imidazol-1-yl}-N-(phenylmethyl)acetamide 2-{4-nitro-2-methyl-1H-imidazol-…

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Other Names:

MFCD02745949

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) 0.67 0.11 -21.36 1 7 0 92 274.28 5 ↓
Mid Mid (pH 6-8) 0.67 0.27 -42.52 2 7 1 93 275.288 5 ↓

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 3960 0.38 Functional ≤ 10μM
Z50467-3-O Trichomonas Vaginalis (cluster #3 Of 3), Other Other 7980 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 3960 0.38 Functional ≤ 10μM
Z50467 Z50467 Trichomonas Vaginalis 7980 0.36 Functional ≤ 10μM

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

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