UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(cyclopropylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperazine 1-(cyclopropylmethyl)-4-(1,3,5-t…

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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) 0.83 5.57 -47.98 1 6 1 60 313.447 4 ↓
Mid Mid (pH 6-8) 0.83 3.37 -10.43 0 6 0 58 312.439 4 ↓

Analogs

37840790
37840790
37840862
37840862
48906976
48906976

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Popular Name: 1-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine 1-(cyclopropylmethyl)-4-(1H-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) 0.32 2.9 -47.94 2 6 1 70 271.366 4 ↓
Mid Mid (pH 6-8) 0.32 0.7 -10.22 1 6 0 69 270.358 4 ↓

Analogs

37496946
37496946
36077001
36077001

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Popular Name: 1-(cyclopropylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine 1-(cyclopropylmethyl)-4-[(3,5-di…

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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) 0.77 4.36 -47.76 2 6 1 70 299.42 4 ↓
Mid Mid (pH 6-8) 0.77 2.14 -9.3 1 6 0 69 298.412 4 ↓

Analogs

37039144
37039144

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Popular Name: 1-(cyclopropylmethyl)-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine 1-(cyclopropylmethyl)-4-[(5-meth…

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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) 0.54 3.3 -51.3 2 6 1 70 285.393 4 ↓
Mid Mid (pH 6-8) 0.54 1.02 -9.8 1 6 0 69 284.385 4 ↓

Parameters Provided:

ring.id = 110011
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 = 110011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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