UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442896
12442896
12442894
12442894

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Popular Name: 2-methyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[[(2S)-tetrahydropyra…

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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) 2.29 8.24 -11.46 0 3 0 31 247.338 2 ↓

Analogs

12442896
12442896
12442894
12442894

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[[(2R)-tetrahydropyra…

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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) 2.29 8.26 -12.65 0 3 0 31 247.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-tetrahydropyran-2-yl]methyl]-6,7-dihydro-5H-indol-4-one 1-[[(2S)-tetrahydropyran-2-yl]me…

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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 7.59 -12.47 0 3 0 31 233.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-tetrahydropyran-2-yl]methyl]-6,7-dihydro-5H-indol-4-one 1-[[(2R)-tetrahydropyran-2-yl]me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.74 -10.77 0 3 0 31 233.311 2 ↓

Analogs

28873177
28873177
28873174
28873174

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[[(2S)-tetrahy…

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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) 3.18 9.16 -10.96 0 3 0 31 275.392 2 ↓

Analogs

28873177
28873177
28873174
28873174

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[[(2R)-tetrahy…

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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) 3.18 9.19 -12.09 0 3 0 31 275.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[[(2S)-tetrahydro…

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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) 2.96 8.51 -11.89 0 3 0 31 261.365 2 ↓

Analogs

28873174
28873174
28873177
28873177

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[[(2R)-tetrahydro…

Find On: PubMed — Wikipedia — Google

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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) 2.96 8.66 -10.4 0 3 0 31 261.365 2 ↓

Parameters Provided:

ring.id = 571498
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 = 571498 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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