UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20591392
20591392
20573005
20573005
9340552
9340552

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Popular Name: 6,7-dimethyl-1-(2-morpholinoethyl)indoline-2,3-dione 6,7-dimethyl-1-(2-morpholinoethy…

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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) 1.58 4.25 -10.77 0 5 0 52 288.347 3 ↓
Mid Mid (pH 6-8) 1.58 6.51 -49.31 1 5 1 53 289.355 3 ↓

Analogs

20573652
20573652
20588967
20588967
1892726
1892726

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Popular Name: 6-methoxy-1-(2-morpholinoethyl)indoline-2,3-dione 6-methoxy-1-(2-morpholinoethyl)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) 0.81 2.71 -10.52 0 6 0 61 290.319 4 ↓
Mid Mid (pH 6-8) 0.81 5 -47.15 1 6 1 62 291.327 4 ↓

Analogs

20591579
20591579
26779522
26779522

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Popular Name: 6-chloro-1-(2-morpholinoethyl)indoline-2,3-dione 6-chloro-1-(2-morpholinoethyl)in…

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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) 1.43 3.92 -8.88 0 5 0 52 294.738 3 ↓
Mid Mid (pH 6-8) 1.43 6.21 -47.29 1 5 1 53 295.746 3 ↓

Analogs

19967124
19967124
19966845
19966845

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Popular Name: 7-bromo-5-fluoro-1-(2-morpholinoethyl)indoline-2,3-dione 7-bromo-5-fluoro-1-(2-morpholino…

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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) 0.68 3.78 -7.07 0 5 0 52 357.179 3 ↓
Mid Mid (pH 6-8) 0.68 6.07 -40.92 1 5 1 53 358.187 3 ↓

Analogs

19966845
19966845
14112543
14112543
3149430
3149430

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Popular Name: 7-bromo-1-(2-morpholinoethyl)indoline-2,3-dione 7-bromo-1-(2-morpholinoethyl)ind…

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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) 1.54 3.72 -9.59 0 5 0 52 339.189 3 ↓
Mid Mid (pH 6-8) 1.54 6 -39.71 1 5 1 53 340.197 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-(2-morpholinoethyl)indoline-2,3-dione 4,6-dimethyl-1-(2-morpholinoethy…

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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) 1.58 4.7 -10.81 0 5 0 52 288.347 3 ↓
Mid Mid (pH 6-8) 1.58 6.98 -49.08 1 5 1 53 289.355 3 ↓

Analogs

20591392
20591392
20573005
20573005

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Popular Name: 4,7-dimethyl-1-(2-morpholinoethyl)indoline-2,3-dione 4,7-dimethyl-1-(2-morpholinoethy…

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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) 1.58 4.25 -10.97 0 5 0 52 288.347 3 ↓
Mid Mid (pH 6-8) 1.58 6.51 -47.12 1 5 1 53 289.355 3 ↓

Analogs

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Popular Name: 7-chloro-1-(2-morpholinoethyl)indoline-2,3-dione 7-chloro-1-(2-morpholinoethyl)in…

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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) 1.40 3.66 -9.71 0 5 0 52 294.738 3 ↓
Mid Mid (pH 6-8) 1.40 5.95 -40.47 1 5 1 53 295.746 3 ↓

Analogs

19967124
19967124

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Popular Name: 5,7-difluoro-1-(2-morpholinoethyl)indoline-2,3-dione 5,7-difluoro-1-(2-morpholinoethy…

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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) 0.03 3.44 -7.5 0 5 0 52 296.273 3 ↓
Mid Mid (pH 6-8) 0.03 5.72 -42.8 1 5 1 53 297.281 3 ↓

Analogs

19967124
19967124

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Popular Name: 7-fluoro-5-methyl-1-(2-morpholinoethyl)indoline-2,3-dione 7-fluoro-5-methyl-1-(2-morpholin…

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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) 1.29 4.04 -8.97 0 5 0 52 292.31 3 ↓
Mid Mid (pH 6-8) 1.29 6.32 -41.06 1 5 1 53 293.318 3 ↓

Analogs

19966845
19966845
6759317
6759317

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Popular Name: 5-bromo-7-methyl-1-(2-morpholinoethyl)indoline-2,3-dione 5-bromo-7-methyl-1-(2-morpholino…

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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) 1.94 4.31 -9.37 0 5 0 52 353.216 3 ↓
Mid Mid (pH 6-8) 1.94 6.59 -50.43 1 5 1 53 354.224 3 ↓

Analogs

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Popular Name: 4-chloro-7-fluoro-1-(2-morpholinoethyl)indoline-2,3-dione 4-chloro-7-fluoro-1-(2-morpholin…

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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) 1.52 3.88 -9.96 0 5 0 52 312.728 3 ↓
Mid Mid (pH 6-8) 1.52 6.15 -44.63 1 5 1 53 313.736 3 ↓

Analogs

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Popular Name: 4,6-difluoro-1-(2-morpholinoethyl)indoline-2,3-dione 4,6-difluoro-1-(2-morpholinoethy…

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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) 1.00 3.54 -10.28 0 5 0 52 296.273 3 ↓
Mid Mid (pH 6-8) 1.00 5.82 -53.15 1 5 1 53 297.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-fluoro-1-(2-morpholinoethyl)indoline-2,3-dione 5-bromo-6-fluoro-1-(2-morpholino…

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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) 1.65 4.06 -8.4 0 5 0 52 357.179 3 ↓
Mid Mid (pH 6-8) 1.65 6.34 -50.84 1 5 1 53 358.187 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-(2-morpholinoethyl)indoline-2,3-dione 4-chloro-1-(2-morpholinoethyl)in…

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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) 1.40 3.9 -13.31 0 5 0 52 294.738 3 ↓
Mid Mid (pH 6-8) 1.40 6.18 -54.8 1 5 1 53 295.746 3 ↓

Parameters Provided:

ring.id = 610917
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 = 610917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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