UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-N-(2-furylmethyl)-3-pyrazol-1-yl-butanamide (3S)-N-(2-furylmethyl)-3-pyrazol…

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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) 0.78 3.82 -10.38 1 5 0 60 233.271 5 ↓

Analogs

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Popular Name: (3R)-N-(2-furylmethyl)-3-pyrazol-1-yl-butanamide (3R)-N-(2-furylmethyl)-3-pyrazol…

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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) 0.78 3.82 -10.73 1 5 0 60 233.271 5 ↓

Analogs

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Popular Name: N-ethyl-N-(2-furylmethyl)-3-(4-sulfamoylpyrazol-1-yl)propanamide N-ethyl-N-(2-furylmethyl)-3-(4-s…

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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) -0.34 1.32 -15.87 2 8 0 111 326.378 7 ↓
Hi High (pH 8-9.5) -0.34 1.8 -44.43 1 8 -1 109 325.37 7 ↓

Analogs

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Popular Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-(2-furfuryl)propionamide 3-(4-bromo-3-methyl-pyrazol-1-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) 1.38 -0.78 -8.47 1 5 0 60 312.167 5 ↓

Analogs

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Popular Name: N-(2-furfuryl)-3-(5-methyl-4-nitro-pyrazol-1-yl)propionamide N-(2-furfuryl)-3-(5-methyl-4-nit…

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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) 0.53 0.39 -12 1 8 0 105 278.268 6 ↓

Analogs

2776784
2776784

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Popular Name: 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-furfuryl)propionamide 3-[4-chloro-5-methyl-3-(trifluor…

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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) 2.38 1.73 -10.12 1 5 0 60 335.713 6 ↓

Analogs

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Popular Name: N-butyl-N-(2-furylmethyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide N-butyl-N-(2-furylmethyl)-3-(3,4…

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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) 2.92 9.45 -11.47 0 5 0 51 317.433 8 ↓

Parameters Provided:

ring.id = 91121
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 = 91121 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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