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

Draw Identity 99% 90% 80% 70%

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

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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) 2.95 8.93 -4.95 1 3 0 49 241.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.95 9.01 -5.04 1 3 0 49 241.338 4 ↓

Analogs

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

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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) 3.48 9.8 -4.68 1 3 0 49 255.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.48 9.8 -4.67 1 3 0 49 255.365 5 ↓

Analogs

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

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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) 2.99 7.77 -10.67 3 3 0 51 275.421 5 ↓
Mid Mid (pH 6-8) 2.99 8.09 -34.83 4 3 1 52 276.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.99 7.86 -10.91 3 3 0 51 275.421 5 ↓
Mid Mid (pH 6-8) 2.99 8.17 -34.68 4 3 1 52 276.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 3.53 8.5 -10.62 3 3 0 51 289.448 6 ↓
Mid Mid (pH 6-8) 3.53 8.74 -34.33 4 3 1 52 290.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 3.53 8.49 -10.49 3 3 0 51 289.448 6 ↓
Mid Mid (pH 6-8) 3.53 8.74 -34.44 4 3 1 52 290.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.77 9.64 -35.95 2 4 0 66 260.337 5 ↓
Hi High (pH 8-9.5) 2.77 9.32 -49.74 1 4 -1 65 259.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.77 9.71 -35.49 2 4 0 66 260.337 5 ↓
Hi High (pH 8-9.5) 2.77 9.42 -50.17 1 4 -1 65 259.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-[[(1S)-1-(cyclopropylmethyl)pr…

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) 3.30 10.3 -35.66 2 4 0 66 274.364 6 ↓
Hi High (pH 8-9.5) 3.30 10.07 -50.44 1 4 -1 65 273.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-[[(1R)-1-(cyclopropylmethyl)pr…

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) 3.30 10.29 -35.57 2 4 0 66 274.364 6 ↓
Hi High (pH 8-9.5) 3.30 10.05 -50.4 1 4 -1 65 273.356 6 ↓

Parameters Provided:

ring.id = 522341
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 = 522341 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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