UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36548294
36548294

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Popular Name: (3S,3'S,4'S)-5-fluoro-3'-(furan-2-carbonyl)-1'-methyl-4'-(3-nitrophenyl)spiro[indoline-3,2'-pyrrolid (3S,3'S,4'S)-5-fluoro-3'-(furan-…

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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) 3.77 8.91 -13.5 1 8 0 108 435.411 4 ↓

Analogs

36548444
36548444

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Popular Name: (3S,3'S,4'S)-3'-benzoyl-1'-methyl-4'-(4-nitrophenyl)spiro[indoline-3,2'-pyrrolidine]-2-one (3S,3'S,4'S)-3'-benzoyl-1'-methy…

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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) 4.39 10.56 -16.92 1 7 0 95 427.46 4 ↓

Analogs

36543706
36543706

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Popular Name: (3S,3'S,4'S)-5-methoxy-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-2-carbonyl)spiro[indoline-3,2'-pyrr (3S,3'S,4'S)-5-methoxy-1'-methyl…

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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) 3.23 8.36 -14.12 1 9 0 117 458.474 5 ↓

Analogs

36543631
36543631

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Popular Name: (3S,3'S,4'S)-3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[indoline-3,2'-pyrrolidine]-2-on (3S,3'S,4'S)-3'-(furan-2-carbony…

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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) 3.65 8.84 -16.59 1 8 0 108 417.421 4 ↓

Analogs

36550272
36550272

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Popular Name: (3S,3'S,4'S)-3'-(4-fluorobenzoyl)-1'-methyl-4'-(4-nitrophenyl)spiro[indoline-3,2'-pyrrolidine]-2-one (3S,3'S,4'S)-3'-(4-fluorobenzoyl…

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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) 4.56 10.63 -16.47 1 7 0 95 445.45 4 ↓

Analogs

36550270
36550270
17112394
17112394

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Popular Name: (3S,3'S,4'S)-5-methoxy-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-4-carbonyl)spiro[indoline-3,2'-pyrr (3S,3'S,4'S)-5-methoxy-1'-methyl…

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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 8.09 -13.93 1 9 0 117 458.474 5 ↓

Analogs

36543784
36543784
17056304
17056304

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Popular Name: (3S,3'S,4'S)-5-methoxy-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-3-carbonyl)spiro[indoline-3,2'-pyrr (3S,3'S,4'S)-5-methoxy-1'-methyl…

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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) 3.17 8.06 -13.44 1 9 0 117 458.474 5 ↓

Analogs

36548396
36548396

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Popular Name: (3S,3'S,4'S)-3'-(furan-2-carbonyl)-5-methoxy-1'-methyl-4'-(3-nitrophenyl)spiro[indoline-3,2'-pyrroli (3S,3'S,4'S)-3'-(furan-2-carbony…

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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 8.13 -14.23 1 9 0 118 447.447 5 ↓

Analogs

36542239
36542239
35808502
35808502
35808504
35808504

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Popular Name: (3S,3'S,4'S)-1'-methyl-4'-(4-nitrophenyl)-3'-(pyridine-2-carbonyl)spiro[indoline-3,2'-pyrrolidine]-2 (3S,3'S,4'S)-1'-methyl-4'-(4-nit…

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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) 3.22 9.06 -15.68 1 8 0 108 428.448 4 ↓

Analogs

13607166
13607166
36331976
36331976

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Popular Name: (3S,3'S,4'R)-1'-methyl-4'-(4-nitrophenyl)-3'-(pyridine-2-carbonyl)spiro[indoline-3,2'-pyrrolidine]-2 (3S,3'S,4'R)-1'-methyl-4'-(4-nit…

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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) 3.22 9.11 -18.04 1 8 0 108 428.448 4 ↓

Analogs

13592957
13592957
36331908
36331908

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Popular Name: (3S,3'S,4'R)-3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[indoline-3,2'-pyrrolidine]-2-on (3S,3'S,4'R)-3'-(furan-2-carbony…

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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) 3.65 8.89 -18.82 1 8 0 108 417.421 4 ↓

Analogs

13606950
13606950
17045143
17045143
17045146
17045146
20573531
20573531

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Popular Name: (3S,3'S,4'R)-5-fluoro-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-2-carbonyl)spiro[indoline-3,2'-pyrro (3S,3'S,4'R)-5-fluoro-1'-methyl-…

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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) 3.34 9.16 -20.68 1 8 0 108 446.438 4 ↓

Analogs

13592726
13592726
36331900
36331900

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Popular Name: (3S,3'S,4'R)-5-methoxy-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-2-carbonyl)spiro[indoline-3,2'-pyrr (3S,3'S,4'R)-5-methoxy-1'-methyl…

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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) 3.23 8.39 -21.31 1 9 0 117 458.474 5 ↓

Analogs

13606862
13606862
17056304
17056304
36331949
36331949

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Popular Name: (3S,3'S,4'R)-5-methoxy-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-3-carbonyl)spiro[indoline-3,2'-pyrr (3S,3'S,4'R)-5-methoxy-1'-methyl…

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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) 3.17 8.16 -20.95 1 9 0 117 458.474 5 ↓

Analogs

33784935
33784935
33784937
33784937

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Popular Name: (3S,3'R,4'S)-3'-benzoyl-4'-(4-fluorophenyl)-1'-methyl-spiro[indoline-3,2'-pyrrolidine]-2-one (3S,3'R,4'S)-3'-benzoyl-4'-(4-fl…

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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) 4.60 8.92 -7.61 1 4 0 49 400.453 3 ↓

Analogs

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Popular Name: (3S,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methyl-spiro[indoline-3,2'-pyrrol (3S,3'R,4'S)-5-fluoro-4'-(4-fluo…

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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) 4.00 7.35 -9.83 1 5 0 63 408.404 3 ↓

Analogs

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Popular Name: (3S,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-1'-methyl-3'-(pyridine-2-carbonyl)spiro[indoline-3,2'-pyrr (3S,3'R,4'S)-5-fluoro-4'-(4-fluo…

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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) 3.57 7.42 -11.45 1 5 0 62 419.431 3 ↓

Analogs

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Popular Name: methyl 2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-4'-carboxylate methyl 2-oxo-1,2-dihydrospiro[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) 1.11 2.12 -9.93 2 5 0 67 246.266 2 ↓
Mid Mid (pH 6-8) 1.11 3.32 -44.04 3 5 1 72 247.274 2 ↓

Analogs

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Popular Name: methyl 2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-4'-carboxylate methyl 2-oxo-1,2-dihydrospiro[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) 1.11 2.11 -7.28 2 5 0 67 246.266 2 ↓
Mid Mid (pH 6-8) 1.11 3.37 -39.53 3 5 1 72 247.274 2 ↓

Analogs

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Popular Name: methyl 2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-4'-carboxylate methyl 2-oxo-1,2-dihydrospiro[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) 1.11 2.07 -7.92 2 5 0 67 246.266 2 ↓
Mid Mid (pH 6-8) 1.11 3.32 -37.7 3 5 1 72 247.274 2 ↓

Analogs

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Popular Name: methyl 2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-4'-carboxylate methyl 2-oxo-1,2-dihydrospiro[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) 1.11 2.09 -13.47 2 5 0 67 246.266 2 ↓
Mid Mid (pH 6-8) 1.11 3.33 -45.28 3 5 1 72 247.274 2 ↓

Analogs

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Popular Name: (3R,3'R,5'R)-5'-[(4-hydroxyphenyl)methyl]-2-oxo-spiro[indoline-3,2'-pyrrolidine]-3'-carboxamide (3R,3'R,5'R)-5'-[(4-hydroxypheny…

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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) 2.19 0.69 -17.2 5 6 0 104 337.379 3 ↓

Analogs

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Popular Name: (3R,3'R,5'R)-5'-benzyl-2-oxo-spiro[indoline-3,2'-pyrrolidine]-3'-carboxamide (3R,3'R,5'R)-5'-benzyl-2-oxo-spi…

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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) 2.66 3.6 -13.34 4 5 0 84 321.38 3 ↓

Parameters Provided:

ring.id = 89586
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 = 89586 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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