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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35498365
35498365

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Popular Name: (4-fluorophenyl)sulfonyl-isobutyl-BLAHone (4-fluorophenyl)sulfonyl-isobuty…

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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) 3.02 8.38 -15.86 0 6 0 72 421.519 4 ↓

Analogs

34854787
34854787

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Popular Name: isobutyl-[3-(trifluoromethyl)phenyl]sulfonyl-BLAHone isobutyl-[3-(trifluoromethyl)phe…

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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) 3.73 9.33 -17.55 0 6 0 72 471.526 5 ↓

Analogs

35498369
35498369

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Popular Name: (2,5-dichlorophenyl)sulfonyl-isobutyl-BLAHone (2,5-dichlorophenyl)sulfonyl-iso…

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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) 4.14 9.41 -15.34 0 6 0 72 472.419 4 ↓

Analogs

35498345
35498345

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Popular Name: (4-fluorophenyl)sulfonyl-propyl-BLAHone (4-fluorophenyl)sulfonyl-propyl-…

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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) 2.77 8.28 -16.35 0 6 0 72 407.492 4 ↓

Analogs

35498363
35498363

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Popular Name: (4-methoxyphenyl)sulfonyl-propyl-BLAHone (4-methoxyphenyl)sulfonyl-propyl…

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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) 2.67 7.52 -17.48 0 7 0 82 419.528 5 ↓

Analogs

35498350
35498350

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Popular Name: (2,5-dichlorophenyl)sulfonyl-propyl-BLAHone (2,5-dichlorophenyl)sulfonyl-pro…

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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) 3.89 8.89 -15.77 0 6 0 72 458.392 4 ↓

Analogs

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Popular Name: 2-dimethylaminoethyl-[3-(trifluoromethyl)phenyl]sulfonyl-BLAHone 2-dimethylaminoethyl-[3-(trifluo…

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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) 2.63 9.8 -54.9 1 7 1 77 487.549 6 ↓

Analogs

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Popular Name: (2,5-dichlorophenyl)sulfonyl-(2-dimethylaminoethyl)BLAHone (2,5-dichlorophenyl)sulfonyl-(2-…

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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) 3.05 9.44 -54.63 1 7 1 77 488.442 5 ↓

Analogs

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Popular Name: (4-fluorophenyl)sulfonyl-(3-methoxypropyl)BLAHone (4-fluorophenyl)sulfonyl-(3-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) 2.15 7.35 -18.37 0 7 0 82 437.518 6 ↓

Analogs

35498385
35498385

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Popular Name: 3-methoxypropyl(p-tolylsulfonyl)BLAHone 3-methoxypropyl(p-tolylsulfonyl)…

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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) 2.44 7.84 -18.3 0 7 0 82 433.555 6 ↓

Analogs

35498383
35498383

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Popular Name: benzenesulfonyl(3-methoxypropyl)BLAHone benzenesulfonyl(3-methoxypropyl)…

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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 7.29 -18.88 0 7 0 82 419.528 6 ↓

Analogs

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Popular Name: 3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonyl-BLAHone 3-methoxypropyl-[3-(trifluoromet…

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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) 2.86 8.32 -19.96 0 7 0 82 487.525 7 ↓

Analogs

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Popular Name: (4-methoxyphenyl)sulfonyl-(3-methoxypropyl)BLAHone (4-methoxyphenyl)sulfonyl-(3-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) 2.04 6.59 -19.43 0 8 0 91 449.554 7 ↓

Analogs

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Popular Name: (2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)BLAHone (2,5-dichlorophenyl)sulfonyl-(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) 3.27 7.96 -17.58 0 7 0 82 488.418 6 ↓

Analogs

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Popular Name: allyl-(4-fluorophenyl)sulfonyl-BLAHone allyl-(4-fluorophenyl)sulfonyl-B…

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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) 2.54 8.08 -16.65 0 6 0 72 405.476 4 ↓

Analogs

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Popular Name: allyl(benzenesulfonyl)BLAHone allyl(benzenesulfonyl)BLAHone

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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) 2.38 8.01 -17.28 0 6 0 72 387.486 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-[3-(trifluoromethyl)phenyl]sulfonyl-BLAHone allyl-[3-(trifluoromethyl)phenyl…

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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 9.03 -18.3 0 6 0 72 455.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-(2,5-dichlorophenyl)sulfonyl-BLAHone allyl-(2,5-dichlorophenyl)sulfon…

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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) 3.66 8.68 -16.04 0 6 0 72 456.376 4 ↓

Parameters Provided:

ring.id = 17678
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 = 17678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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