UCSF
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Analogs

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Popular Name: (6-amino-1H-indol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone (6-amino-1H-indol-3-yl)-(4-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) 0.36 5.55 -45.94 4 5 1 67 285.371 2 ↓
Mid Mid (pH 6-8) 0.36 3.36 -13.26 3 5 0 65 284.363 2 ↓

Analogs

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Popular Name: (5-amino-1H-indol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone (5-amino-1H-indol-3-yl)-(4-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) 0.36 5.54 -46.88 4 5 1 67 285.371 2 ↓
Mid Mid (pH 6-8) 0.36 3.36 -14.68 3 5 0 65 284.363 2 ↓

Analogs

40418633
40418633
35206709
35206709
35134859
35134859
9134349
9134349

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Popular Name: (4-cyclopropylpiperazin-1-yl)-(1H-indol-3-yl)methanone (4-cyclopropylpiperazin-1-yl)-(1…

Find On: PubMed — Wikipedia — Google

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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) 1.31 7.69 -46.44 2 4 1 41 270.356 2 ↓
Mid Mid (pH 6-8) 1.31 5.5 -13.45 1 4 0 39 269.348 2 ↓

Parameters Provided:

ring.id = 14942
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 = 14942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14942&filter.purchasability=annotated

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