UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-hydrazino-6-(2-naphthyl)pyridine-3-carbonitrile 2-hydrazino-6-(2-naphthyl)pyridi…

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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) 3.06 7.67 -8.72 3 4 0 75 260.3 2 ↓

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Popular Name: YA-0481 YA-0481

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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) 3.50 7.08 -26.96 1 2 0 37 221.259 1 ↓
Hi High (pH 8-9.5) 3.50 6.76 -45.57 0 2 -1 36 220.251 1 ↓
Mid Mid (pH 6-8) 3.50 6.1 -9.05 1 2 0 33 221.259 1 ↓

Analogs

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Popular Name: 2-(2-naphthyl)pyridine-4-carboxylic 2-(2-naphthyl)pyridine-4-carboxylic

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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) 3.63 9.22 -47.8 0 3 -1 53 248.261 2 ↓

Analogs

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Popular Name: YA-7283 YA-7283

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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) 3.29 8.87 -50.9 0 3 -1 53 248.261 2 ↓
Lo Low (pH 4.5-6) 3.29 9.28 -47.18 1 3 0 54 249.269 2 ↓

Analogs

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Popular Name: YA-7285 YA-7285

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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) 3.35 9.2 -48.56 0 3 -1 53 248.261 2 ↓
Lo Low (pH 4.5-6) 3.35 9.53 -37.93 1 3 0 54 249.269 2 ↓

Parameters Provided:

ring.id = 17800
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 = 17800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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