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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-amino-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]indolin-2-one 5-amino-6-[(3S)-3-pyrrolidin-1-y…

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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) 1.15 5.67 -41.08 4 5 1 63 287.387 2 ↓
Hi High (pH 8-9.5) 1.15 3.27 -6.25 3 5 0 62 286.379 2 ↓
Lo Low (pH 4.5-6) 1.15 5.56 -110.98 5 5 2 64 288.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]indolin-2-one 5-amino-6-[(3R)-3-pyrrolidin-1-y…

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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) 1.15 5.69 -40.76 4 5 1 63 287.387 2 ↓
Hi High (pH 8-9.5) 1.15 3.3 -6.77 3 5 0 62 286.379 2 ↓
Lo Low (pH 4.5-6) 1.15 5.59 -109.88 5 5 2 64 288.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]indolin-2-one (3R)-3-amino-6-[(3S)-3-pyrrolidi…

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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) -0.95 4.14 -91.77 5 5 2 64 288.395 2 ↓
Hi High (pH 8-9.5) -0.95 1.44 -6.6 3 5 0 62 286.379 2 ↓
Mid Mid (pH 6-8) -0.95 3.83 -44.06 4 5 1 63 287.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]indolin-2-one (3R)-3-amino-6-[(3R)-3-pyrrolidi…

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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) -0.95 4.18 -91.65 5 5 2 64 288.395 2 ↓
Hi High (pH 8-9.5) -0.95 1.48 -6.76 3 5 0 62 286.379 2 ↓
Mid Mid (pH 6-8) -0.95 3.87 -43.88 4 5 1 63 287.387 2 ↓

Analogs

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Popular Name: (3R)-3-hydroxy-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]indolin-2-one (3R)-3-hydroxy-6-[(3S)-3-pyrroli…

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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) 0.75 3.55 -44.22 3 5 1 57 288.371 2 ↓
Hi High (pH 8-9.5) 0.75 1.17 -6.79 2 5 0 56 287.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-hydroxy-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]indolin-2-one (3R)-3-hydroxy-6-[(3R)-3-pyrroli…

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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) 0.75 3.59 -44.07 3 5 1 57 288.371 2 ↓
Hi High (pH 8-9.5) 0.75 1.2 -7.02 2 5 0 56 287.363 2 ↓

Parameters Provided:

ring.id = 324705
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 = 324705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=324705&filter.purchasability=annotated

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