UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [1-ethyl-5-(trifluoromethyl)pyra…

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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) 2.05 5.61 -17.35 1 11 0 117 470.419 4 ↓

Analogs

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Popular Name: [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [1-ethyl-5-(trifluoromethyl)pyra…

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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) 2.05 5.56 -17.56 1 11 0 117 470.419 4 ↓

Analogs

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-(difluoromethoxy)-3-methoxy-p…

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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) 2.42 5.77 -20.22 1 11 0 117 480.435 5 ↓

Analogs

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-(difluoromethoxy)-3-methoxy-p…

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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) 2.42 5.84 -20.35 1 11 0 117 480.435 5 ↓

Analogs

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Popular Name: (3,4-diethoxyphenyl)methyl-methyl-(1-methylpyrazol-4-yl)BLAH (3,4-diethoxyphenyl)methyl-methy…

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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) 2.56 7.96 -22.08 1 11 0 117 486.536 7 ↓

Analogs

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Popular Name: (3,4-diethoxyphenyl)methyl-methyl-(1-methylpyrazol-4-yl)BLAH (3,4-diethoxyphenyl)methyl-methy…

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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) 2.56 7.91 -21.52 1 11 0 117 486.536 7 ↓

Analogs

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Popular Name: [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-2-methyl-5-(trifluorom…

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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) 2.28 5.58 -16.21 1 11 0 117 490.837 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-2-methyl-5-(trifluorom…

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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) 2.28 5.64 -16.42 1 11 0 117 490.837 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-1-methyl-5-(trifluorom…

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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) 2.28 5.22 -18.01 1 11 0 117 490.837 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-1-methyl-5-(trifluorom…

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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) 2.28 5.28 -18.23 1 11 0 117 490.837 3 ↓

Analogs

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Popular Name: [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-[(3,5-dimethylpyrazol-1-yl)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) 2.70 9.05 -21.55 1 11 0 117 492.547 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-[(3,5-dimethylpyrazol-1-yl)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) 2.70 9 -21.72 1 11 0 117 492.547 4 ↓

Parameters Provided:

ring.id = 111220
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 = 111220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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