UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6897649
6897649

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Popular Name: 1-(6-methoxy-3-pyridyl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(6-methoxy-3-pyridyl)-2-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) 2.23 6.1 -10.21 0 4 0 44 256.305 2 ↓

Analogs

6897649
6897649

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-3-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(6-methoxy-3-pyridyl)-6,7-dihy…

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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) 2.01 5.48 -10.38 0 4 0 44 242.278 2 ↓

Analogs

6897649
6897649

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-3-pyridyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(6-methoxy-3-pyridyl)-2,6,6-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) 3.12 7.04 -9.61 0 4 0 44 284.359 2 ↓

Analogs

6897649
6897649

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-3-pyridyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(6-methoxy-3-pyridyl)-6,6-dime…

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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) 2.89 6.42 -9.79 0 4 0 44 270.332 2 ↓

Analogs

1719362
1719362
1068164
1068164

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(3-pyridyl)-6,7-dihydro-5H-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) 1.61 7.01 -10.64 0 3 0 35 212.252 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-(3-pyridyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(3-pyridyl)-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) 2.72 8.57 -10.15 0 3 0 35 254.333 1 ↓

Analogs

4728914
4728914

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-(3-pyridyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(3-pyridyl)-5,7-d…

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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) 2.50 7.96 -10.03 0 3 0 35 240.306 1 ↓

Parameters Provided:

ring.id = 569357
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 = 569357 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=569357&filter.purchasability=annotated

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