UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39948758
39948758
39948759
39948759

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(4-aminophenyl)ethylideneamino]-5-(1-piperidylmethyl)triazole- 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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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) 1.08 5.18 -31.95 6 12 1 168 425.477 6 ↓

Analogs

39948758
39948758
39948759
39948759
39948776
39948776
39948777
39948777

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(4-nitrophenyl)ethylideneamino]-5-(1-piperidylmethyl)triazole- 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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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) 1.96 7.99 -38.81 4 14 1 187 455.459 7 ↓

Analogs

3633224
3633224

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(5-chloro-2-hydroxybenzylidene)-5-(1-piperidinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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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) 2.68 -2.64 -33.67 1 5 1 161 446.879 12 ↓

Analogs

25782233
25782233
25783463
25783463
25783465
25783465
6014106
6014106

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]-5-(1-piperidyl 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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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) 1.94 4.78 -33.11 5 12 1 162 426.461 6 ↓
Hi High (pH 8-9.5) 1.94 2.52 -11.28 4 12 0 161 425.453 6 ↓

Analogs

33770992
33770992
39948783
39948783
39948784
39948784
61970991
61970991
3633214
3633214

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-isopropoxyphenyl)methyleneamino]-5-[(4-methyl-1-piperidyl)met 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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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 8.08 -33.73 4 12 1 151 468.542 8 ↓
Hi High (pH 8-9.5) 3.13 5.82 -9.73 3 12 0 150 467.534 8 ↓

Parameters Provided:

ring.id = 146350
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 = 146350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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