UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(2-cyanoethyl)-N-(3-py…

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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) -0.70 3.97 -14.04 2 8 0 122 272.268 5 ↓
Lo Low (pH 4.5-6) -0.70 4.43 -49.97 3 8 1 123 273.276 5 ↓

Analogs

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Popular Name: 4-amino-N-methyl-N-(3-pyridylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-methyl-N-(3-pyridylmet…

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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) -0.16 2.39 -9.54 2 7 0 98 233.231 3 ↓
Lo Low (pH 4.5-6) -0.16 2.85 -38.16 3 7 1 99 234.239 3 ↓

Analogs

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Popular Name: 4-amino-N-isopropyl-N-(3-pyridylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-isopropyl-N-(3-pyridyl…

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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) 0.52 4.15 -9.67 2 7 0 98 261.285 4 ↓
Lo Low (pH 4.5-6) 0.52 4.62 -35.24 3 7 1 99 262.293 4 ↓

Analogs

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Popular Name: 4-amino-N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(2-dimethylaminoethyl)…

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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) -0.13 4.86 -48.04 3 8 1 103 291.335 6 ↓
Hi High (pH 8-9.5) -0.13 2.38 -8.67 2 8 0 101 290.327 6 ↓

Analogs

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Popular Name: 4-amino-N-[(2-isopropoxy-3-pyridyl)methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(2-isopropoxy-3-pyrid…

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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) 0.68 0.4 -8.09 3 8 0 116 277.284 5 ↓

Parameters Provided:

ring.id = 122732
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 = 122732 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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