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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-1-cyclopentyl-3,4-dihydro-2H-quinolin-3-amine (3S)-1-cyclopentyl-3,4-dihydro-2…

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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) 2.29 6.03 -48.12 3 2 1 31 217.336 1 ↓
Hi High (pH 8-9.5) 2.29 5.71 -2.63 2 2 0 29 216.328 1 ↓

Analogs

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Popular Name: (3R)-1-cyclopentyl-3,4-dihydro-2H-quinolin-3-amine (3R)-1-cyclopentyl-3,4-dihydro-2…

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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) 2.29 5.92 -47.9 3 2 1 31 217.336 1 ↓
Hi High (pH 8-9.5) 2.29 5.62 -2.42 2 2 0 29 216.328 1 ↓

Analogs

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Popular Name: 1-cyclopentyl-3,4-dihydro-2H-quinolin-6-amine 1-cyclopentyl-3,4-dihydro-2H-qui…

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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) 3.00 6.68 -3.03 2 2 0 29 216.328 1 ↓
Mid Mid (pH 6-8) 3.00 6.75 -27.39 3 2 1 30 217.336 1 ↓

Analogs

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Popular Name: (1S,2R)-2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)cyclopentanol (1S,2R)-2-(6-amino-3,4-dihydro-2…

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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) 1.85 4.16 -24.83 4 3 1 51 233.335 1 ↓
Mid Mid (pH 6-8) 1.85 3.88 -4.76 3 3 0 49 232.327 1 ↓

Analogs

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Popular Name: (1S,2S)-2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)cyclopentanol (1S,2S)-2-(6-amino-3,4-dihydro-2…

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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) 1.85 3.38 -27.28 4 3 1 51 233.335 1 ↓
Mid Mid (pH 6-8) 1.85 3.23 -5.32 3 3 0 49 232.327 1 ↓

Analogs

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Popular Name: (1S,2R)-2-[(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]cyclopentanol (1S,2R)-2-[(3S)-3-amino-3,4-dihy…

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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) 1.15 3.24 -47.13 4 3 1 51 233.335 1 ↓
Hi High (pH 8-9.5) 1.15 2.91 -4.59 3 3 0 49 232.327 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]cyclopentanol (1S,2R)-2-[(3R)-3-amino-3,4-dihy…

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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) 1.15 3.36 -45.47 4 3 1 51 233.335 1 ↓
Hi High (pH 8-9.5) 1.15 3.04 -3.93 3 3 0 49 232.327 1 ↓

Parameters Provided:

ring.id = 28792
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 = 28792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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