UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxa 1-(2-fluorophenyl)-N-[(3,4,5-tri…

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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) 3.11 8.78 -18.27 1 7 0 75 425.46 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole- N-[(1R)-1-(3-fluoro-4-methoxy-ph…

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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) 4.18 9.88 -16.91 1 5 0 56 397.425 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole- N-[(1S)-1-(3-fluoro-4-methoxy-ph…

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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) 4.18 9.87 -17.21 1 5 0 56 397.425 5 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]-6,7-diazabicyclo[3.3.0]octa-7,9-di 6-(4-fluorophenyl)-N-[[4-(isopro…

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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) 3.12 -4.73 -18.91 2 7 0 93 470.57 8 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide N-[(4-methoxyphenyl)methyl]-N-me…

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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) 3.45 11.2 -12.68 0 5 0 47 361.445 5 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide N-[(3-chlorophenyl)methyl]-N-met…

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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) 4.05 12.41 -12.69 0 4 0 38 365.864 4 ↓

Parameters Provided:

ring.id = 12860
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 = 12860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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