UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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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 11.11 -12.15 0 2 0 22 265.356 2 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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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 11.15 -11.95 0 2 0 22 265.356 2 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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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 10.84 -12.04 0 2 0 22 265.356 2 ↓

Analogs

13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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) 3.12 11.1 -12.9 0 2 0 22 265.356 2 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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) 2.89 10.46 -13.07 0 2 0 22 251.329 2 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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) 2.89 10.64 -11.1 0 2 0 22 251.329 2 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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) 2.89 10.61 -11.01 0 2 0 22 251.329 2 ↓

Analogs

1719363
1719363
13108541
13108541

Draw Identity 99% 90% 80% 70%

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

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) 2.89 10.54 -12.76 0 2 0 22 251.329 2 ↓

Analogs

2190703
2190703
2190702
2190702
20568415
20568415

Draw Identity 99% 90% 80% 70%

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

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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) 3.78 11.65 -12.09 0 2 0 22 279.383 2 ↓

Analogs

2190703
2190703
2190702
2190702
20568415
20568415

Draw Identity 99% 90% 80% 70%

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

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) 3.78 11.56 -10.51 0 2 0 22 279.383 2 ↓

Analogs

2190703
2190703
2190702
2190702
20568415
20568415

Draw Identity 99% 90% 80% 70%

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

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) 3.78 11.54 -10.41 0 2 0 22 279.383 2 ↓

Analogs

2190703
2190703
2190702
2190702
20568415
20568415

Draw Identity 99% 90% 80% 70%

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

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) 3.78 11.71 -12.09 0 2 0 22 279.383 2 ↓

Parameters Provided:

ring.id = 571561
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 = 571561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=571561&filter.purchasability=annotated

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