UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-ethyl-5-indolin-1-yl-1,2,4-triazole-3-thiol 4-ethyl-5-indolin-1-yl-1,2,4-tri…

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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) 1.94 10.74 -12.15 1 4 0 37 246.339 2 ↓

Analogs

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Popular Name: 5-indolin-1-yl-4-propyl-1,2,4-triazole-3-thiol 5-indolin-1-yl-4-propyl-1,2,4-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) 2.44 11.48 -11.88 1 4 0 37 260.366 3 ↓
Mid Mid (pH 6-8) 3.17 11.45 -50.7 0 4 -1 34 259.358 3 ↓

Analogs

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Popular Name: 5-indolin-1-yl-4-methyl-1,2,4-triazole-3-thiol 5-indolin-1-yl-4-methyl-1,2,4-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) 1.56 9.92 -12.42 1 4 0 37 232.312 1 ↓

Analogs

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Popular Name: 5-indolin-1-yl-4-isopropyl-1,2,4-triazole-3-thiol 5-indolin-1-yl-4-isopropyl-1,2,4…

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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) 2.30 11.12 -11.36 1 4 0 37 260.366 2 ↓

Parameters Provided:

ring.id = 114573
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 = 114573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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