UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclohexyl-N-cyclopropyl-1H-triazole-4-carboxamide N-cyclohexyl-N-cyclopropyl-1H-tr…

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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) 1.73 4.94 -5.95 1 5 0 62 234.303 3 ↓
Mid Mid (pH 6-8) 1.73 4.94 -34.8 0 5 -1 60 233.295 3 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(4-ethylcyclohexyl)-1H-triazole-4-carboxamide N-cyclopropyl-N-(4-ethylcyclohex…

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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) 2.19 6.08 -6.19 1 5 0 62 262.357 4 ↓
Hi High (pH 8-9.5) 2.19 6.06 -38.91 0 5 -1 60 261.349 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(4-methylcyclohexyl)-1H-triazole-4-carboxamide N-cyclopropyl-N-(4-methylcyclohe…

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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) 1.51 5.68 -5.83 1 5 0 62 248.33 3 ↓
Hi High (pH 8-9.5) 1.51 5.67 -35.25 0 5 -1 60 247.322 3 ↓

Parameters Provided:

ring.id = 550083
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 = 550083 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=550083&filter.purchasability=annotated

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