UCSF
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Analogs

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Popular Name: 4-[(Z)-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]hydrazono]methyl]phenol 4-[(Z)-[[5-(1-methyl-5-nitro-imi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 7100 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 1300 0.34 Functional ≤ 10μM

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) 1.85 5.64 -13.4 2 10 0 134 345.344 5 ↓

Analogs

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Popular Name: N-[(Z)-(4-bromophenyl)methyleneamino]-5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-amine N-[(Z)-(4-bromophenyl)methylenea…

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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) 3.13 9.11 -11.9 1 9 0 114 408.241 5 ↓

Analogs

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Popular Name: 2,6-ditert-butyl-4-[(Z)-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]hydrazono]methyl] 2,6-ditert-butyl-4-[(Z)-[[5-(1-m…

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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) 5.37 11.18 -11.57 2 10 0 134 457.56 7 ↓

Analogs

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Popular Name: 2-[(Z)-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]hydrazono]methyl]phenol 2-[(Z)-[[5-(1-methyl-5-nitro-imi…

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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) 2.27 5.67 -12.04 2 10 0 134 345.344 5 ↓
Hi High (pH 8-9.5) 2.27 6.44 -37.76 1 10 -1 137 344.336 5 ↓

Analogs

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Popular Name: 5-(1-methyl-5-nitro-imidazol-2-yl)-N-[(Z)-(4-nitrophenyl)methyleneamino]-1,3,4-thiadiazol-2-amine 5-(1-methyl-5-nitro-imidazol-2-y…

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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) 2.28 8.66 -18.62 1 12 0 160 374.342 6 ↓

Parameters Provided:

ring.id = 366843
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 366843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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