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

Analogs

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Popular Name: BRD-K81205503-001-01-2 BRD-K81205503-001-01-2

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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) -1.24 8.78 -32.12 2 7 1 98 381.437 3 ↓
Hi High (pH 8-9.5) 1.24 8.71 -21.22 1 7 0 97 380.429 3 ↓

Analogs

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Popular Name: (4-chlorophenyl)sulfonyl-ethyl-imino-BLAHone (4-chlorophenyl)sulfonyl-ethyl-i…

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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) -0.56 9.28 -32.75 2 7 1 98 415.882 3 ↓
Hi High (pH 8-9.5) 1.92 9.23 -18.76 1 7 0 97 414.874 3 ↓

Analogs

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Popular Name: ethyl-imino-(p-tolylsulfonyl)BLAHone ethyl-imino-(p-tolylsulfonyl)BLA…

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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) -0.79 9.45 -31.89 2 7 1 98 395.464 3 ↓
Hi High (pH 8-9.5) 1.69 9.39 -21.08 1 7 0 97 394.456 3 ↓

Analogs

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Popular Name: benzenesulfonyl-imino-sec-butyl-BLAHone benzenesulfonyl-imino-sec-butyl-…

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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) -0.37 10.81 -31.16 2 7 1 98 409.491 4 ↓
Hi High (pH 8-9.5) 2.10 10.45 -20.63 1 7 0 97 408.483 4 ↓

Analogs

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Popular Name: benzenesulfonyl-imino-methyl-propyl-BLAHone benzenesulfonyl-imino-methyl-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) -0.34 10.4 -30.74 2 7 1 98 409.491 4 ↓
Hi High (pH 8-9.5) 2.14 10.33 -20.29 1 7 0 97 408.483 4 ↓

Analogs

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Popular Name: benzenesulfonyl-imino-propyl-BLAHone benzenesulfonyl-imino-propyl-BLA…

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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) -0.74 9.52 -31.73 2 7 1 98 395.464 4 ↓
Hi High (pH 8-9.5) 1.74 9.46 -21.13 1 7 0 97 394.456 4 ↓

Analogs

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Popular Name: (4-bromophenyl)sulfonyl-butyl-imino-methyl-BLAHone (4-bromophenyl)sulfonyl-butyl-im…

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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) 1.03 11.8 -31.78 2 7 1 98 502.414 5 ↓
Hi High (pH 8-9.5) 3.51 11.74 -17.73 1 7 0 97 501.406 5 ↓

Analogs

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Popular Name: 2-imino-3-[(4-methylphenyl)sulfonyl]-1-propyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one 2-imino-3-[(4-methylphenyl)sulfo…

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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) -0.29 10.08 -34.22 2 7 1 98 409.491 4 ↓

Parameters Provided:

ring.id = 60772
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 = 60772 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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