UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2800166
2800166
2802304
2802304

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Popular Name: [2-(difluoromethyl)pyrazol-3-yl]-phenyl-BLAH [2-(difluoromethyl)pyrazol-3-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) 1.99 2.51 -13.22 0 8 0 78 352.308 3 ↓

Analogs

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Popular Name: (2,5-dimethylpyrazol-3-yl)-phenyl-BLAH (2,5-dimethylpyrazol-3-yl)-pheny…

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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) 1.66 1.69 -12.05 0 8 0 78 330.355 2 ↓

Analogs

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Popular Name: [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-phenyl-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) 3.18 11.62 -11.37 0 8 0 79 418.77 3 ↓

Analogs

2797532
2797532

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Popular Name: (2-methylpyrazol-3-yl)-phenyl-BLAH (2-methylpyrazol-3-yl)-phenyl-BLAH

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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) 1.44 1.57 -11.9 0 8 0 78 316.328 2 ↓

Analogs

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Popular Name: (4-chloro-2-methyl-pyrazol-3-yl)-phenyl-BLAH (4-chloro-2-methyl-pyrazol-3-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) 2.04 1.64 -11.58 0 8 0 78 350.773 2 ↓

Analogs

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Popular Name: (4-bromo-2,5-dimethyl-pyrazol-3-yl)-phenyl-BLAH (4-bromo-2,5-dimethyl-pyrazol-3-…

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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) 2.40 1.23 -11.63 0 8 0 78 409.251 2 ↓

Parameters Provided:

ring.id = 240175
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 = 240175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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