UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-1-[(2-methylthiazol-5-yl)methyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(2-methylthiazol-5-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) 1.89 7.92 -14.65 0 3 0 35 260.362 2 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-5-yl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(2-methylthiazol-5-yl)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) 1.67 7.53 -14.58 0 3 0 35 246.335 2 ↓

Analogs

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

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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) 2.78 8.84 -14.07 0 3 0 35 288.416 2 ↓

Analogs

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

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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) 2.56 8.45 -14 0 3 0 35 274.389 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2,4-dimethylthiazol-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) 2.48 8.55 -13.31 0 3 0 35 288.416 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2,4-dimethylthiazol-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) 2.48 8.59 -14.71 0 3 0 35 288.416 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2,4-dimethylthiazol-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) 2.26 8.41 -14.08 0 3 0 35 274.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2,4-dimethylthiazol-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) 2.26 8.41 -14.35 0 3 0 35 274.389 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R)-1-(2,4-dimethylthiazol-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) 3.14 9.33 -13.38 0 3 0 35 302.443 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S)-1-(2,4-dimethylthiazol-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) 3.14 9.33 -13.79 0 3 0 35 302.443 2 ↓

Parameters Provided:

ring.id = 571599
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 = 571599 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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