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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: 1-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]isoquinoline-3-carboxamide 1-chloro-N-[(1S)-2-cyclopropyl-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) 3.97 7.72 -7.15 1 3 0 42 288.778 4 ↓

Analogs

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Popular Name: 1-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]isoquinoline-3-carboxamide 1-chloro-N-[(1R)-2-cyclopropyl-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) 3.97 7.85 -7.25 1 3 0 42 288.778 4 ↓

Analogs

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Popular Name: 1-chloro-N-[(1S)-1-(cyclopropylmethyl)propyl]isoquinoline-3-carboxamide 1-chloro-N-[(1S)-1-(cyclopropylm…

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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) 4.51 8.34 -6.6 1 3 0 42 302.805 5 ↓

Analogs

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Popular Name: 1-chloro-N-[(1R)-1-(cyclopropylmethyl)propyl]isoquinoline-3-carboxamide 1-chloro-N-[(1R)-1-(cyclopropylm…

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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) 4.51 8.46 -6.71 1 3 0 42 302.805 5 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-(methylamino)isoquinoline-3-carboxamide N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.15 7.42 -10.02 2 4 0 54 283.375 5 ↓
Lo Low (pH 4.5-6) 3.15 7.81 -30.82 3 4 1 55 284.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-(methylamino)isoquinoline-3-carboxamide N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.15 7.54 -10.06 2 4 0 54 283.375 5 ↓
Lo Low (pH 4.5-6) 3.15 7.93 -30.62 3 4 1 55 284.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]isoquinoline-3-carboxamide 1-amino-N-[(1S)-2-cyclopropyl-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) 2.78 6.25 -9.98 3 4 0 68 269.348 4 ↓
Lo Low (pH 4.5-6) 2.78 6.72 -32.99 4 4 1 69 270.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]isoquinoline-3-carboxamide 1-amino-N-[(1R)-2-cyclopropyl-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) 2.78 6.37 -10.03 3 4 0 68 269.348 4 ↓
Lo Low (pH 4.5-6) 2.78 6.84 -33.01 4 4 1 69 270.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1S)-1-(cyclopropylmethyl)propyl]isoquinoline-3-carboxamide 1-amino-N-[(1S)-1-(cyclopropylme…

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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) 3.31 6.87 -9.43 3 4 0 68 283.375 5 ↓
Lo Low (pH 4.5-6) 3.31 7.33 -32.73 4 4 1 69 284.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1R)-1-(cyclopropylmethyl)propyl]isoquinoline-3-carboxamide 1-amino-N-[(1R)-1-(cyclopropylme…

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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) 3.31 6.98 -9.46 3 4 0 68 283.375 5 ↓
Lo Low (pH 4.5-6) 3.31 7.45 -32.62 4 4 1 69 284.383 5 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-hydrazino-isoquinoline-3-carboxamide N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 2.54 6.09 -10.59 4 5 0 80 284.363 5 ↓
Lo Low (pH 4.5-6) 2.54 6.6 -30.94 5 5 1 81 285.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-hydrazino-isoquinoline-3-carboxamide N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 2.54 6.22 -10.7 4 5 0 80 284.363 5 ↓
Lo Low (pH 4.5-6) 2.54 6.73 -30.76 5 5 1 81 285.371 5 ↓

Parameters Provided:

ring.id = 522296
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 = 522296 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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