UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-hydrazino-N-(3-methyl-2-pyridyl)pyrimidine-5-sulfonamide 2-hydrazino-N-(3-methyl-2-pyridy…

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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) 0.17 2.23 -16.25 4 8 0 126 280.313 3 ↓
Mid Mid (pH 6-8) -0.01 1.76 -44.67 3 8 -1 125 279.305 4 ↓
Lo Low (pH 4.5-6) 0.17 2.71 -36.98 5 8 1 127 281.321 3 ↓

Analogs

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Popular Name: 2-hydrazino-N-(6-methyl-2-pyridyl)pyrimidine-5-sulfonamide 2-hydrazino-N-(6-methyl-2-pyridy…

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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) -0.18 2.05 -16.19 4 8 0 126 280.313 3 ↓
Mid Mid (pH 6-8) -0.36 1.6 -45.94 3 8 -1 125 279.305 4 ↓
Lo Low (pH 4.5-6) -0.18 2.53 -36.78 5 8 1 127 281.321 3 ↓

Analogs

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Popular Name: 2-hydrazino-N-(5-methyl-2-pyridyl)pyrimidine-5-sulfonamide 2-hydrazino-N-(5-methyl-2-pyridy…

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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) 0.22 2.13 -15.24 4 8 0 126 280.313 3 ↓
Mid Mid (pH 6-8) 0.04 1.64 -45.27 3 8 -1 125 279.305 4 ↓
Lo Low (pH 4.5-6) 0.22 2.61 -36.56 5 8 1 127 281.321 3 ↓

Analogs

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Popular Name: 2-hydrazino-N-(2-pyridyl)pyrimidine-5-sulfonamide 2-hydrazino-N-(2-pyridyl)pyrimid…

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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) -0.23 1.47 -16.52 4 8 0 126 266.286 3 ↓
Mid Mid (pH 6-8) -0.41 0.99 -44.62 3 8 -1 125 265.278 4 ↓
Lo Low (pH 4.5-6) -0.23 1.95 -37.31 5 8 1 127 267.294 3 ↓

Analogs

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Popular Name: 2-hydrazino-N-(4-methyl-2-pyridyl)pyrimidine-5-sulfonamide 2-hydrazino-N-(4-methyl-2-pyridy…

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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) 0.17 2.13 -16.05 4 8 0 126 280.313 3 ↓
Mid Mid (pH 6-8) -0.01 1.66 -45.63 3 8 -1 125 279.305 4 ↓
Lo Low (pH 4.5-6) 0.17 2.61 -36.78 5 8 1 127 281.321 3 ↓

Parameters Provided:

ring.id = 520058
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 = 520058 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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