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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: (2S)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-propan-2-amine (2S)-N-[(1S)-1-(1,3-benzothiazol…

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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) 3.69 8.08 -34.36 2 2 1 29 261.414 5 ↓
Hi High (pH 8-9.5) 3.69 7.06 -6.06 1 2 0 25 260.406 5 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-propan-2-amine (2R)-N-[(1S)-1-(1,3-benzothiazol…

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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) 3.69 8.15 -35.39 2 2 1 29 261.414 5 ↓
Hi High (pH 8-9.5) 3.69 7.22 -6.51 1 2 0 25 260.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-propan-2-amine (2S)-N-[(1R)-1-(1,3-benzothiazol…

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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) 3.69 8.1 -34.86 2 2 1 29 261.414 5 ↓
Hi High (pH 8-9.5) 3.69 7.02 -5.65 1 2 0 25 260.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-propan-2-amine (2R)-N-[(1R)-1-(1,3-benzothiazol…

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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) 3.69 8.13 -34.79 2 2 1 29 261.414 5 ↓
Hi High (pH 8-9.5) 3.69 7.23 -5.57 1 2 0 25 260.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropyl-propan-2-amine (2S)-N-(1,3-benzothiazol-2-ylmet…

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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) 3.13 7.62 -38.37 2 2 1 29 247.387 5 ↓
Hi High (pH 8-9.5) 3.13 6.42 -6.57 1 2 0 25 246.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropyl-propan-2-amine (2R)-N-(1,3-benzothiazol-2-ylmet…

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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) 3.13 7.68 -38.77 2 2 1 29 247.387 5 ↓
Hi High (pH 8-9.5) 3.13 6.63 -6.64 1 2 0 25 246.379 5 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-butan-2-amine (2S)-N-[(1S)-1-(1,3-benzothiazol…

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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) 4.23 8.7 -34.31 2 2 1 29 275.441 6 ↓
Hi High (pH 8-9.5) 4.23 7.7 -5.87 1 2 0 25 274.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-butan-2-amine (2R)-N-[(1S)-1-(1,3-benzothiazol…

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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) 4.23 8.56 -32.83 2 2 1 29 275.441 6 ↓
Hi High (pH 8-9.5) 4.23 7.54 -6.18 1 2 0 25 274.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-butan-2-amine (2S)-N-[(1R)-1-(1,3-benzothiazol…

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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) 4.23 8.54 -32.02 2 2 1 29 275.441 6 ↓
Hi High (pH 8-9.5) 4.23 7.91 -5.24 1 2 0 25 274.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-butan-2-amine (2R)-N-[(1R)-1-(1,3-benzothiazol…

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) 4.23 8.75 -34.75 2 2 1 29 275.441 6 ↓
Hi High (pH 8-9.5) 4.23 7.83 -5.45 1 2 0 25 274.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropyl-butan-2-amine (2S)-N-(1,3-benzothiazol-2-ylmet…

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) 3.67 8.22 -38.58 2 2 1 29 261.414 6 ↓
Hi High (pH 8-9.5) 3.67 7.02 -6.38 1 2 0 25 260.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropyl-butan-2-amine (2R)-N-(1,3-benzothiazol-2-ylmet…

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) 3.67 8.28 -39.16 2 2 1 29 261.414 6 ↓
Hi High (pH 8-9.5) 3.67 7.25 -6.49 1 2 0 25 260.406 6 ↓

Parameters Provided:

ring.id = 522046
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 = 522046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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