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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-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)me (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) 0.28 5.21 -45.8 2 7 1 74 291.379 5 ↓
Hi High (pH 8-9.5) 0.28 4.05 -16.07 1 7 0 70 290.371 5 ↓

Analogs

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Popular Name: (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)me (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) 0.28 5.2 -46.73 2 7 1 74 291.379 5 ↓
Hi High (pH 8-9.5) 0.28 3.94 -15.62 1 7 0 70 290.371 5 ↓

Analogs

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Popular Name: (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethana (1S)-N-[(1-tert-butylpyrazol-4-y…

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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) 1.06 7.93 -47.14 2 6 1 65 289.407 5 ↓
Hi High (pH 8-9.5) 1.06 6.66 -15.64 1 6 0 61 288.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethana (1R)-N-[(1-tert-butylpyrazol-4-y…

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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) 1.06 7.93 -48.08 2 6 1 65 289.407 5 ↓
Hi High (pH 8-9.5) 1.06 6.76 -16.12 1 6 0 61 288.399 5 ↓

Analogs

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Popular Name: (1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)meth (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) 1.15 7.75 -49.58 2 6 1 65 289.407 5 ↓
Hi High (pH 8-9.5) 1.15 6.48 -16.72 1 6 0 61 288.399 5 ↓

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-[(3-isopropyl-1-methyl-pyrazol-4-yl)meth (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) 1.15 7.74 -49.26 2 6 1 65 289.407 5 ↓
Hi High (pH 8-9.5) 1.15 6.59 -17.2 1 6 0 61 288.399 5 ↓

Parameters Provided:

ring.id = 180702
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 = 180702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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