UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2190703
2190703
2190702
2190702
38285032
38285032

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Popular Name: 1-(cyclopropylmethyl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(cyclopropylmethyl)-2-methyl-6…

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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) 2.28 8.55 -11.1 0 2 0 22 203.285 2 ↓

Analogs

1719179
1719179

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Popular Name: 1-(cyclopropylmethyl)-6,7-dihydro-5H-indol-4-one 1-(cyclopropylmethyl)-6,7-dihydr…

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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) 2.06 8.06 -10.8 0 2 0 22 189.258 2 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(cyclopropylmethyl)-2,6,6-trim…

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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) 3.17 9.48 -10.66 0 2 0 22 231.339 2 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(cyclopropylmethyl)-6,6-dimeth…

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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) 2.95 8.98 -10.27 0 2 0 22 217.312 2 ↓

Analogs

13108541
13108541

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Popular Name: 1-[(1S)-1-cyclopropylethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-cyclopropylethyl]-2-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) 2.65 8.81 -10.89 0 2 0 22 217.312 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopropylethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-cyclopropylethyl]-2-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) 2.65 8.7 -10.68 0 2 0 22 217.312 2 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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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) 2.42 8.58 -10.39 0 2 0 22 203.285 2 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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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) 2.42 8.43 -10.47 0 2 0 22 203.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.54 9.73 -10.34 0 2 0 22 245.366 2 ↓

Analogs

2190703
2190703
2190702
2190702
12385334
12385334

Draw Identity 99% 90% 80% 70%

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

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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) 3.54 9.69 -10.31 0 2 0 22 245.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.31 9.36 -9.97 0 2 0 22 231.339 2 ↓

Analogs

1719180
1719180
2190703
2190703
2190702
2190702

Draw Identity 99% 90% 80% 70%

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

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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) 3.31 9.35 -9.86 0 2 0 22 231.339 2 ↓

Parameters Provided:

ring.id = 571227
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 = 571227 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=571227&filter.purchasability=annotated

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