UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2R)-2-cyanopropyl]-N-ethyl-5-methyl-1-(6-quinolyl)triazole-4-carboxamide N-[(2R)-2-cyanopropyl]-N-ethyl-5…

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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) 2.13 8.61 -12.19 0 7 0 88 348.41 5 ↓

Analogs

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Popular Name: N-[(2S)-2-cyanopropyl]-N-ethyl-5-methyl-1-(6-quinolyl)triazole-4-carboxamide N-[(2S)-2-cyanopropyl]-N-ethyl-5…

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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) 2.13 8.58 -12.51 0 7 0 88 348.41 5 ↓

Analogs

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Popular Name: N-(2-ethoxyethyl)-5-methyl-1-(6-quinolyl)triazole-4-carboxamide N-(2-ethoxyethyl)-5-methyl-1-(6-…

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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) 1.33 4.21 -10.89 1 7 0 82 325.372 6 ↓

Analogs

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Popular Name: N-(cyanomethyl)-5-methyl-N-propyl-1-(6-quinolyl)triazole-4-carboxamide N-(cyanomethyl)-5-methyl-N-propy…

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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) 1.88 7.99 -14.2 0 7 0 88 334.383 5 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-N,5-dimethyl-1-(6-quinolyl)triazole-4-carboxamide N-(2-cyanoethyl)-N,5-dimethyl-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) 0.68 7 -13.71 0 7 0 88 320.356 4 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N,5-dimethyl-1-(6-quinolyl)triazole-4-carboxamide N-(cyanomethyl)-N,5-dimethyl-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) 1.00 6.27 -14.46 0 7 0 88 306.329 3 ↓

Analogs

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Popular Name: 2-[1-(6-quinolyl)triazol-4-yl]propan-2-amine 2-[1-(6-quinolyl)triazol-4-yl]pr…

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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) 1.75 3.93 -55.86 3 5 1 71 254.317 2 ↓
Hi High (pH 8-9.5) 1.75 3.67 -10.15 2 5 0 70 253.309 2 ↓

Parameters Provided:

ring.id = 351812
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 = 351812 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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