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

Analogs

33740058
33740058
33740059
33740059
33740060
33740060
33740061
33740061
33892061
33892061

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Popular Name: (3R)-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholinopropyl)-1-propyl-spiro[indoline-3,5'-p (3R)-3'-hydroxy-4'-(5-methylfura…

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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 8.92 -57.23 0 9 -1 106 492.552 8 ↓
Mid Mid (pH 6-8) 2.19 11.26 -71.3 1 9 0 108 493.56 8 ↓

Analogs

33740058
33740058
33740059
33740059
33740060
33740060
33740061
33740061
33892061
33892061

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholinopropyl)-1-propyl-spiro[indoline-3,5'-p (3S)-3'-hydroxy-4'-(5-methylfura…

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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 8.92 -57.56 0 9 -1 106 492.552 8 ↓
Mid Mid (pH 6-8) 2.19 11.22 -65.73 1 9 0 108 493.56 8 ↓

Analogs

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Popular Name: (3S)-4'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1'-(3-dimethylaminopropyl)-3'-hydroxy-1-methyl-spi (3S)-4'-(2,3-dihydro-1,4-benzodi…

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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) 1.49 8.73 -74.87 1 9 0 104 477.517 6 ↓

Analogs

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Popular Name: (3R)-4'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1'-(3-dimethylaminopropyl)-3'-hydroxy-1-methyl-spi (3R)-4'-(2,3-dihydro-1,4-benzodi…

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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) 1.49 8.73 -74.87 1 9 0 104 477.517 6 ↓

Analogs

16742284
16742284
16742285
16742285

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Popular Name: (3S)-1-allyl-4'-(benzofuran-2-carbonyl)-1'-(3-dimethylaminopropyl)-3'-hydroxy-spiro[indoline-3,5'-py (3S)-1-allyl-4'-(benzofuran-2-ca…

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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) 3.20 13.3 -68.58 1 8 0 98 485.54 8 ↓

Analogs

16742284
16742284
16742285
16742285

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-allyl-4'-(benzofuran-2-carbonyl)-1'-(3-dimethylaminopropyl)-3'-hydroxy-spiro[indoline-3,5'-py (3R)-1-allyl-4'-(benzofuran-2-ca…

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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) 3.20 13.23 -70.82 1 8 0 98 485.54 8 ↓

Analogs

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Popular Name: (3R)-4'-(benzofuran-2-carbonyl)-3'-hydroxy-1'-(2-morpholinoethyl)-1-propyl-spiro[indoline-3,5'-pyrro (3R)-4'-(benzofuran-2-carbonyl)-…

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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) 3.00 9.72 -60.37 0 9 -1 106 514.558 7 ↓
Mid Mid (pH 6-8) 3.00 12.06 -67.8 1 9 0 108 515.566 7 ↓

Analogs

33583423
33583423
33583425
33583425
2400602
2400602

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Popular Name: (3S)-4'-(benzofuran-2-carbonyl)-3'-hydroxy-1'-(2-morpholinoethyl)-1-propyl-spiro[indoline-3,5'-pyrro (3S)-4'-(benzofuran-2-carbonyl)-…

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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) 3.00 9.75 -58.47 0 9 -1 106 514.558 7 ↓
Mid Mid (pH 6-8) 3.00 12.09 -65.19 1 9 0 108 515.566 7 ↓

Analogs

16742284
16742284
16742285
16742285

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4'-(benzofuran-2-carbonyl)-1-ethyl-3'-hydroxy-1'-(3-morpholinopropyl)spiro[indoline-3,5'-pyrrol (3R)-4'-(benzofuran-2-carbonyl)-…

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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 9.74 -60.27 0 9 -1 106 514.558 7 ↓
Mid Mid (pH 6-8) 2.77 12.02 -73.62 1 9 0 108 515.566 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4'-(benzofuran-2-carbonyl)-1-ethyl-3'-hydroxy-1'-(3-morpholinopropyl)spiro[indoline-3,5'-pyrrol (3S)-4'-(benzofuran-2-carbonyl)-…

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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 9.86 -60.73 0 9 -1 106 514.558 7 ↓
Mid Mid (pH 6-8) 2.77 12.2 -68.48 1 9 0 108 515.566 7 ↓

Analogs

33756582
33756582
33756583
33756583
33793059
33793059
33793060
33793060
33911966
33911966

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Popular Name: 1'-[2-(dimethylamino)ethyl]-1-propyl-3'-hydroxy-4'-(5-methyl-2-furoyl)-1,1',3,5'-tetrahydrospiro(2H-indole-3,5'[2'H]-pyrrole)-2,2'-dione 1'-[2-(dimethylamino)ethyl]-1-pr…

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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) 2.07 11.07 -65.29 1 8 0 98 437.496 7 ↓
Hi High (pH 8-9.5) 2.07 8.55 -55.88 0 8 -1 97 436.488 7 ↓
Lo Low (pH 4.5-6) 2.07 9.97 -49.95 2 8 1 95 438.504 7 ↓

Analogs

33756582
33756582
33756583
33756583
33793059
33793059
33793060
33793060
33911966
33911966

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[2-(dimethylamino)ethyl]-1-propyl-3'-hydroxy-4'-(5-methyl-2-furoyl)-1,1',3,5'-tetrahydrospiro(2H-indole-3,5'[2'H]-pyrrole)-2,2'-dione 1'-[2-(dimethylamino)ethyl]-1-pr…

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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) 2.07 11.13 -61.93 1 8 0 98 437.496 7 ↓
Hi High (pH 8-9.5) 2.07 8.6 -55.14 0 8 -1 97 436.488 7 ↓

Analogs

33904072
33904072
33904073
33904073

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4'-(benzofuran-2-carbonyl)-3'-hydroxy-1-methyl-1'-(2-morpholinoethyl)spiro[indoline-3,5'-pyrrol (3R)-4'-(benzofuran-2-carbonyl)-…

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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) 2.13 8.01 -59.47 0 9 -1 106 486.504 5 ↓
Mid Mid (pH 6-8) 2.13 10.34 -66.63 1 9 0 108 487.512 5 ↓

Analogs

33792546
33792546
33792547
33792547
33904072
33904072
33904073
33904073

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4'-(benzofuran-2-carbonyl)-3'-hydroxy-1-methyl-1'-(2-morpholinoethyl)spiro[indoline-3,5'-pyrrol (3S)-4'-(benzofuran-2-carbonyl)-…

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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) 2.13 8.1 -59.34 0 9 -1 106 486.504 5 ↓
Mid Mid (pH 6-8) 2.13 10.44 -63.53 1 9 0 108 487.512 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4'-(benzofuran-2-carbonyl)-3'-hydroxy-1-methyl-1'-(3-morpholinopropyl)spiro[indoline-3,5'-pyrro (3R)-4'-(benzofuran-2-carbonyl)-…

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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) 2.40 8.86 -60.76 0 9 -1 106 500.531 6 ↓
Mid Mid (pH 6-8) 2.40 11.2 -69.08 1 9 0 108 501.539 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4'-(benzofuran-2-carbonyl)-3'-hydroxy-1-methyl-1'-(3-morpholinopropyl)spiro[indoline-3,5'-pyrro (3S)-4'-(benzofuran-2-carbonyl)-…

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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) 2.40 8.82 -59.43 0 9 -1 106 500.531 6 ↓
Mid Mid (pH 6-8) 2.40 11.16 -73.99 1 9 0 108 501.539 6 ↓
Lo Low (pH 4.5-6) 2.40 10.06 -53.69 2 9 1 105 502.547 6 ↓

Parameters Provided:

ring.id = 71431
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 = 71431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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