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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: (1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(thiazol-5-ylmethyl)ethanamine (1S)-1-(6,7-dihydro-5H-pyrrolo[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) 0.67 5.4 -48.44 2 5 1 60 250.351 4 ↓
Mid Mid (pH 6-8) 0.67 4.14 -15.42 1 5 0 56 249.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(thiazol-5-ylmethyl)ethanamine (1R)-1-(6,7-dihydro-5H-pyrrolo[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) 0.67 5.4 -48.45 2 5 1 60 250.351 4 ↓
Mid Mid (pH 6-8) 0.67 4.24 -15.95 1 5 0 56 249.343 4 ↓

Analogs

37797580
37797580
37797581
37797581

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Popular Name: (1R)-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-methylthiazol-5-yl)etha (1R)-N-[(1S)-1-(6,7-dihydro-5H-p…

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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) 1.45 6.17 -44.35 2 5 1 60 278.405 4 ↓
Mid Mid (pH 6-8) 1.45 5.44 -14.15 1 5 0 56 277.397 4 ↓

Analogs

37797580
37797580
37797581
37797581

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-methylthiazol-5-yl)etha (1S)-N-[(1S)-1-(6,7-dihydro-5H-p…

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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) 1.45 6.42 -44.93 2 5 1 60 278.405 4 ↓
Mid Mid (pH 6-8) 1.45 5.4 -15.25 1 5 0 56 277.397 4 ↓

Analogs

37797580
37797580
37797581
37797581

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-methylthiazol-5-yl)etha (1R)-N-[(1R)-1-(6,7-dihydro-5H-p…

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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) 1.45 6.4 -45.01 2 5 1 60 278.405 4 ↓
Mid Mid (pH 6-8) 1.45 5.3 -15.57 1 5 0 56 277.397 4 ↓

Analogs

37797580
37797580
37797581
37797581

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-methylthiazol-5-yl)etha (1S)-N-[(1R)-1-(6,7-dihydro-5H-p…

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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) 1.45 6.19 -44.76 2 5 1 60 278.405 4 ↓
Mid Mid (pH 6-8) 1.45 5.36 -13.38 1 5 0 56 277.397 4 ↓

Parameters Provided:

ring.id = 153738
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 = 153738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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