UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-chloro-2-[(2-oxoindolin-5-yl)sulfonylamino]benzoic 3-chloro-2-[(2-oxoindolin-5-yl)s…

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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) 2.52 4.42 -121.35 1 7 -2 117 364.766 4 ↓

Analogs

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Popular Name: 3-methylsulfanyl-4-[(2-oxoindolin-5-yl)sulfonylamino]benzoic 3-methylsulfanyl-4-[(2-oxoindoli…

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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) 2.12 3.52 -52.34 2 7 -1 115 377.423 5 ↓
Hi High (pH 8-9.5) 2.12 3.62 -99.44 1 7 -2 117 376.415 5 ↓

Analogs

25253098
25253098
25253102
25253102
25509970
25509970
25509982
25509982

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Popular Name: N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-indoline-5-sulfonamide N-[5-chloro-2-(2,2,2-trifluoroet…

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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) 3.44 4.24 -15.74 2 6 0 85 420.796 6 ↓
Mid Mid (pH 6-8) 3.44 4.27 -43.51 1 6 -1 87 419.788 6 ↓

Analogs

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Popular Name: N-(4-cyanophenyl)-1,3,3-trimethyl-2-oxo-indoline-5-sulfonamide N-(4-cyanophenyl)-1,3,3-trimethy…

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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) 2.82 6.35 -36.94 0 6 -1 92 354.411 3 ↓
Mid Mid (pH 6-8) 2.82 6.21 -15.21 1 6 0 90 355.419 3 ↓

Analogs

8583968
8583968

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Popular Name: BRD-K09101611-001-04-5 BRD-K09101611-001-04-5

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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 7.23 -11.44 1 5 0 66 358.463 3 ↓
Hi High (pH 8-9.5) 3.89 7.27 -46.13 0 5 -1 69 357.455 3 ↓

Analogs

20487257
20487257

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Popular Name: N-(2-ethylphenyl)-1,3,3-trimethyl-2-oxo-indoline-5-sulfonamide N-(2-ethylphenyl)-1,3,3-trimethy…

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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) 3.93 7.39 -11.01 1 5 0 66 358.463 4 ↓
Hi High (pH 8-9.5) 3.93 7.45 -43.49 0 5 -1 69 357.455 4 ↓

Analogs

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Popular Name: N-ethyl-1,3,3-trimethyl-2-oxo-N-phenyl-indoline-5-sulfonamide N-ethyl-1,3,3-trimethyl-2-oxo-N-…

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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) 3.69 7.93 -12.18 0 5 0 58 358.463 4 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-1,3,3-trimethyl-2-oxo-indoline-5-sulfonamide N-(3,5-dimethoxyphenyl)-1,3,3-tr…

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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) 3.11 4.42 -13.91 1 7 0 85 390.461 5 ↓
Mid Mid (pH 6-8) 3.11 4.54 -48.77 0 7 -1 87 389.453 5 ↓

Analogs

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Popular Name: 2-[(6-chloro-2-oxo-indolin-5-yl)sulfonylamino]-4,5-dimethoxy-benzoic 2-[(6-chloro-2-oxo-indolin-5-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) 2.12 2.9 -55.56 2 9 -1 134 425.826 6 ↓
Mid Mid (pH 6-8) 2.12 3.46 -119.93 1 9 -2 136 424.818 6 ↓

Parameters Provided:

ring.id = 54229
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 = 54229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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