UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38285032
38285032

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Popular Name: 1-cyclopropyl-2-methyl-6,7-dihydro-5H-indol-4-one 1-cyclopropyl-2-methyl-6,7-dihyd…

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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) 1.78 7.59 -11.32 0 2 0 22 189.258 1 ↓

Analogs

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Popular Name: 1-cyclopropyl-6,7-dihydro-5H-indol-4-one 1-cyclopropyl-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) 1.56 7.06 -10.91 0 2 0 22 175.231 1 ↓

Analogs

2582293
2582293
2190702
2190702

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Popular Name: 1-cyclopropyl-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-cyclopropyl-2,6,6-trimethyl-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) 2.67 8.52 -10.77 0 2 0 22 217.312 1 ↓

Analogs

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Popular Name: 1-cyclopropyl-6,6-dimethyl-5,7-dihydroindol-4-one 1-cyclopropyl-6,6-dimethyl-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) 2.44 7.99 -10.34 0 2 0 22 203.285 1 ↓

Analogs

13108541
13108541

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

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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) 2.34 8.61 -10.51 0 2 0 22 217.312 1 ↓

Analogs

13108541
13108541

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

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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) 2.34 8.65 -10.69 0 2 0 22 217.312 1 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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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) 2.12 8.2 -10.37 0 2 0 22 203.285 1 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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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) 2.12 8.16 -10.28 0 2 0 22 203.285 1 ↓

Analogs

2190703
2190703
2190702
2190702
12385334
12385334

Draw Identity 99% 90% 80% 70%

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

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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) 3.23 9.54 -10.04 0 2 0 22 245.366 1 ↓

Analogs

2190703
2190703
2190702
2190702
12385334
12385334

Draw Identity 99% 90% 80% 70%

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

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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) 3.23 9.58 -10.14 0 2 0 22 245.366 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.01 9.08 -9.71 0 2 0 22 231.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.01 9.1 -9.8 0 2 0 22 231.339 1 ↓

Parameters Provided:

ring.id = 571197
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 = 571197 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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