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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: (2R)-2-amino-2-cyclopropyl-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]propanamide (2R)-2-amino-2-cyclopropyl-N-[(1…

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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 5.87 -55.43 4 3 1 57 265.352 5 ↓
Hi High (pH 8-9.5) 2.43 5.56 -8.89 3 3 0 55 264.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]propanamide (2R)-2-amino-2-cyclopropyl-N-[(1…

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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 5.86 -56.36 4 3 1 57 265.352 5 ↓
Hi High (pH 8-9.5) 2.43 5.54 -9.08 3 3 0 55 264.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]propanamide (2S)-2-amino-2-cyclopropyl-N-[(1…

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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 5.87 -56.36 4 3 1 57 265.352 5 ↓
Hi High (pH 8-9.5) 2.43 5.63 -10.06 3 3 0 55 264.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]propanamide (2S)-2-amino-2-cyclopropyl-N-[(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) 2.43 5.86 -55.35 4 3 1 57 265.352 5 ↓
Hi High (pH 8-9.5) 2.43 5.62 -9.9 3 3 0 55 264.344 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-N-[2-(4-nitrophenyl)ethyl]propanamide (2S)-2-cyclopropyl-N-[2-(4-nitro…

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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) 2.80 7.96 -13.58 1 5 0 75 262.309 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-N-[2-(4-nitrophenyl)ethyl]propanamide (2R)-2-cyclopropyl-N-[2-(4-nitro…

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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) 2.80 7.93 -14.19 1 5 0 75 262.309 6 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-2-cyclopropyl-acetamide N-[(2S)-2-amino-2-phenyl-ethyl]-…

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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) -0.33 4.24 -54.31 4 3 1 57 219.308 5 ↓
Mid Mid (pH 6-8) -0.33 3.89 -9.03 3 3 0 55 218.3 5 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-2-cyclopropyl-acetamide N-[(2R)-2-amino-2-phenyl-ethyl]-…

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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) -0.33 4.24 -54.36 4 3 1 57 219.308 5 ↓
Mid Mid (pH 6-8) -0.33 3.79 -7.74 3 3 0 55 218.3 5 ↓

Analogs

59355592
59355592
59355593
59355593
59355595
59355595
19428465
19428465
11959491
11959491

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-ethyl-N-phenethyl-propanamide (2R)-2-amino-2-cyclopropyl-N-eth…

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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) 2.56 7.26 -47.77 3 3 1 48 261.389 6 ↓

Analogs

59355592
59355592
59355593
59355593
59355595
59355595
19428465
19428465
11959491
11959491

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-ethyl-N-phenethyl-propanamide (2S)-2-amino-2-cyclopropyl-N-eth…

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) 2.56 7.64 -45.85 3 3 1 48 261.389 6 ↓

Analogs

59355592
59355592
59355593
59355593
59355595
59355595
19428465
19428465
11959491
11959491

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-methyl-N-phenethyl-propanamide (2R)-2-amino-2-cyclopropyl-N-met…

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) 2.18 5.94 -38.98 3 3 1 48 247.362 5 ↓

Analogs

59355592
59355592
59355593
59355593
59355595
59355595
19428465
19428465
11959491
11959491

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-methyl-N-phenethyl-propanamide (2S)-2-amino-2-cyclopropyl-N-met…

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) 2.18 6.56 -47.07 3 3 1 48 247.362 5 ↓

Analogs

11959637
11959637
11959639
11959639

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (2R)-2-amino-2-cyclopropyl-N-[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) 0.63 -0.59 -62.16 6 6 1 117 312.415 6 ↓
Hi High (pH 8-9.5) 0.63 -0.93 -15.06 5 6 0 115 311.407 6 ↓

Analogs

11959637
11959637
11959639
11959639

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (2S)-2-amino-2-cyclopropyl-N-[2-…

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) 0.63 -0.25 -62.93 6 6 1 117 312.415 6 ↓
Hi High (pH 8-9.5) 0.63 -0.49 -16.17 5 6 0 115 311.407 6 ↓

Parameters Provided:

ring.id = 15321
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 = 15321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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