UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-3-amine 2-methyl-4-(5-methyl-1H-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) -0.42 2.23 -9.28 3 6 0 85 178.199 1 ↓
Mid Mid (pH 6-8) -0.42 2.38 -37.9 4 6 1 87 179.207 1 ↓
Mid Mid (pH 6-8) -0.42 2.25 -31.44 4 6 1 87 179.207 1 ↓

Analogs

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Popular Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine 4-(5-ethyl-1H-1,2,4-triazol-3-yl…

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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) 0.08 1.53 -10.67 4 6 0 96 178.199 2 ↓
Mid Mid (pH 6-8) 0.08 1.57 -8.21 4 6 0 96 178.199 2 ↓
Mid Mid (pH 6-8) 0.08 1.43 -10.16 4 6 0 96 178.199 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-methyl-pyrazol-3-amine 4-(5-ethyl-1H-1,2,4-triazol-3-yl…

Find On: PubMed — Wikipedia — Google

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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) 0.15 2.83 -9.08 3 6 0 85 192.226 2 ↓
Mid Mid (pH 6-8) 0.15 2.99 -37.72 4 6 1 87 193.234 2 ↓
Mid Mid (pH 6-8) 0.15 2.89 -30.96 4 6 1 87 193.234 2 ↓

Parameters Provided:

ring.id = 21432
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 = 21432 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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