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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[(3-aminophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(3-aminophenyl)methylamino]-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) 1.93 6.62 -6.69 3 4 0 75 264.332 3 ↓

Analogs

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Popular Name: 2-[(3-aminophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide 2-[(3-aminophenyl)methylamino]-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) 0.99 3.37 -11.19 5 5 0 94 282.347 4 ↓
Mid Mid (pH 6-8) 0.99 3.7 -31.08 6 5 1 95 283.355 4 ↓

Analogs

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Popular Name: 2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[[(1S)-2-hydroxy-1-phenyl-ethy…

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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) 2.43 6.43 -7.78 2 4 0 69 279.343 4 ↓

Analogs

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Popular Name: 2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[[(1R)-2-hydroxy-1-phenyl-ethy…

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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) 2.43 6.43 -7.76 2 4 0 69 279.343 4 ↓

Analogs

42249710
42249710
43405089
43405089
43405103
43405103
43405228
43405228
43405341
43405341

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Popular Name: 2-[[(1R)-1-(o-tolyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[[(1R)-1-(o-tolyl)ethyl]amino]…

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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) 3.84 10.09 -6.19 1 3 0 49 277.371 3 ↓

Analogs

43405089
43405089
43405103
43405103
43405114
43405114
43405228
43405228
43405234
43405234

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(o-tolyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[[(1S)-1-(o-tolyl)ethyl]amino]…

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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) 3.84 10.19 -6.23 1 3 0 49 277.371 3 ↓

Analogs

43405106
43405106
43405230
43405230
43405234
43405234
43405901
43405901
43406336
43406336

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Popular Name: 2-[(3-fluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(3-fluorophenyl)methylamino]-…

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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) 3.02 8.82 -6.81 1 3 0 49 267.307 3 ↓

Analogs

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Popular Name: 2-[(5-bromo-2-fluoro-phenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(5-bromo-2-fluoro-phenyl)meth…

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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 9.39 -6.37 1 3 0 49 346.203 3 ↓

Analogs

44348488
44348488

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Popular Name: 2-[(3-cyanophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(3-cyanophenyl)methylamino]-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) 2.61 9.14 -9.18 1 4 0 73 274.327 3 ↓

Analogs

43405901
43405901
44346669
44346669

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Popular Name: 2-[(4-cyanophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(4-cyanophenyl)methylamino]-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) 2.63 9.15 -8.84 1 4 0 73 274.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromo-5-fluoro-phenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(2-bromo-5-fluoro-phenyl)meth…

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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 9.32 -6.01 1 3 0 49 346.203 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl(m-tolylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[methyl(m-tolylmethyl)amino]-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) 3.55 11.26 -6.86 0 3 0 40 277.371 3 ↓

Parameters Provided:

ring.id = 36288
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 = 36288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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