UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

55656287
55656287
55656288
55656288
55657592
55657592
55657593
55657593
55657594
55657594

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Popular Name: N-[(1S)-5-fluoroindan-1-yl]cyclobutanecarboxamide N-[(1S)-5-fluoroindan-1-yl]cyclo…

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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) 2.45 6.91 -8.53 1 2 0 29 233.286 2 ↓

Analogs

55656287
55656287
55656288
55656288
55657592
55657592
55657593
55657593
55657594
55657594

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Popular Name: N-[(1R)-5-fluoroindan-1-yl]cyclobutanecarboxamide N-[(1R)-5-fluoroindan-1-yl]cyclo…

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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) 2.45 6.84 -8.48 1 2 0 29 233.286 2 ↓

Analogs

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Popular Name: N-[(1S)-4-fluoroindan-1-yl]cyclobutanecarboxamide N-[(1S)-4-fluoroindan-1-yl]cyclo…

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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 6.89 -7.73 1 2 0 29 233.286 2 ↓

Analogs

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Popular Name: N-[(1R)-4-fluoroindan-1-yl]cyclobutanecarboxamide N-[(1R)-4-fluoroindan-1-yl]cyclo…

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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) 2.42 6.85 -7.85 1 2 0 29 233.286 2 ↓

Analogs

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Popular Name: N-[(1S)-4-chloroindan-1-yl]cyclobutanecarboxamide N-[(1S)-4-chloroindan-1-yl]cyclo…

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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) 2.94 7.32 -7.35 1 2 0 29 249.741 2 ↓

Analogs

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Popular Name: N-[(1R)-4-chloroindan-1-yl]cyclobutanecarboxamide N-[(1R)-4-chloroindan-1-yl]cyclo…

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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) 2.94 7.25 -7.49 1 2 0 29 249.741 2 ↓

Analogs

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Popular Name: N-[(1S)-5-chloroindan-1-yl]cyclobutanecarboxamide N-[(1S)-5-chloroindan-1-yl]cyclo…

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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) 2.96 7.36 -8.09 1 2 0 29 249.741 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-5-chloroindan-1-yl]cyclobutanecarboxamide N-[(1R)-5-chloroindan-1-yl]cyclo…

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) 2.96 7.28 -7.95 1 2 0 29 249.741 2 ↓

Parameters Provided:

ring.id = 542835
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 = 542835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=542835&filter.purchasability=annotated

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