UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-methylsulfonylpiperazin-1-yl)-(2-phenylsulfanyl-3-pyridyl)methanone (4-methylsulfonylpiperazin-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) 1.35 5.37 -21.47 0 6 0 71 377.491 4 ↓

Analogs

39264289
39264289

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Popular Name: N-allyl-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(2-phenylsulfanylpy…

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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) 2.23 6.37 -18.04 1 6 0 66 396.516 7 ↓

Analogs

25402679
25402679
24968995
24968995
22697832
22697832
24984165
24984165

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Popular Name: 1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-2-methyl-propan-1-one 1-[4-[2-(3,4-dimethylphenyl)sulf…

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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) 3.25 10.4 -15.24 0 5 0 54 397.544 4 ↓

Analogs

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Popular Name: 1-[4-[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]ethanone 1-[4-[2-(4-bromophenyl)sulfanylp…

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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) 2.15 8.43 -17.28 0 5 0 54 420.332 3 ↓

Analogs

24374898
24374898
4300662
4300662

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Popular Name: [2-(2,5-dimethoxyphenyl)sulfanyl-3-pyridyl]-(4-methylpiperazin-1-yl)methanone [2-(2,5-dimethoxyphenyl)sulfanyl…

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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) 2.02 5.07 -15.98 0 6 0 55 373.478 5 ↓
Mid Mid (pH 6-8) 2.02 7.42 -50.84 1 6 1 56 374.486 5 ↓

Analogs

24374898
24374898
4300662
4300662

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Popular Name: 1-[4-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]ethanone 1-[4-[2-(2,5-dimethoxyphenyl)sul…

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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 6.47 -22.22 0 7 0 72 401.488 5 ↓

Analogs

53309738
53309738
20031392
20031392
13018397
13018397
28694525
28694525
25175774
25175774

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Popular Name: [4-(2-hydroxyethyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone [4-(2-hydroxyethyl)piperazin-1-y…

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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) 1.35 3.86 -13.72 1 5 0 57 343.452 5 ↓
Lo Low (pH 4.5-6) 1.35 6.16 -45.65 2 5 1 58 344.46 5 ↓

Parameters Provided:

ring.id = 37327
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 = 37327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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