UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-(1-ethylpyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(1-ethylpyrazol-4-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) -0.12 0.29 -9.56 3 8 0 112 222.208 3 ↓

Analogs

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Popular Name: 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(3,5-dimethyl-1H-pyraz…

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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) -0.12 -0.7 -8.47 4 8 0 123 222.208 2 ↓

Analogs

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Popular Name: 4-amino-N-[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[1-(2-amino-2-oxo-ethy…

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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) -1.76 -3.49 -19.53 5 10 0 155 251.206 4 ↓

Analogs

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Popular Name: 4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[1-(2-methoxyethyl)pyr…

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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) -0.51 -0.67 -9.37 3 9 0 121 252.234 5 ↓

Analogs

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Popular Name: 4-amino-N-[1-(2-diethylaminoethyl)pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[1-(2-diethylaminoethy…

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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) 0.29 2.93 -44.22 4 9 1 116 294.339 7 ↓
Hi High (pH 8-9.5) 0.29 0.78 -8.41 3 9 0 115 293.331 7 ↓

Analogs

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Popular Name: 4-amino-N-[1-[2-(methylamino)-2-oxo-ethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[1-[2-(methylamino)-2-…

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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) -1.38 -2 -19.54 4 10 0 141 265.233 4 ↓

Analogs

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Popular Name: 4-amino-N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(1-isopropyl-3,5-dimet…

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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) 0.69 2.08 -9.1 3 8 0 112 264.289 3 ↓

Analogs

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Popular Name: 4-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(1,3,5-trimethylpyrazo…

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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) -0.05 0.51 -9.61 3 8 0 112 236.235 2 ↓

Analogs

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Popular Name: 2-[4-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]pyrazol-1-yl]acetic 2-[4-[(4-amino-1,2,5-oxadiazole-…

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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) -1.25 0.39 -48.54 3 10 -1 152 251.182 4 ↓

Parameters Provided:

ring.id = 122780
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 = 122780 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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