UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[cyclohexyl(ethyl)amino]-4-ethyl-1,2,4-triazole-3-thiol 5-[cyclohexyl(ethyl)amino]-4-eth…

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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) 2.53 10.45 -9.79 1 4 0 37 254.403 4 ↓

Analogs

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Popular Name: 5-[cyclohexyl(ethyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[cyclohexyl(ethyl)amino]-4-pro…

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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) 3.03 11.18 -9.63 1 4 0 37 268.43 5 ↓
Hi High (pH 8-9.5) 3.76 11.17 -46.42 0 4 -1 34 267.422 5 ↓
Mid Mid (pH 6-8) 3.03 10.28 -45.92 2 4 1 38 269.438 5 ↓

Analogs

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Popular Name: 5-[cyclohexyl(ethyl)amino]-4-methyl-1,2,4-triazole-3-thiol 5-[cyclohexyl(ethyl)amino]-4-met…

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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) 2.15 9.63 -10.77 1 4 0 37 240.376 3 ↓

Analogs

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Popular Name: 5-[cyclohexyl(ethyl)amino]-4-isopropyl-1,2,4-triazole-3-thiol 5-[cyclohexyl(ethyl)amino]-4-iso…

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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) 2.89 10.61 -8.24 1 4 0 37 268.43 4 ↓

Parameters Provided:

ring.id = 114565
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 = 114565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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