UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 2.73 1.45 -12.02 0 6 0 81 304.346 6 ↓
Lo Low (pH 4.5-6) 2.73 1.99 -48.09 1 6 1 82 305.354 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.73 1.5 -12.04 0 6 0 81 304.346 6 ↓
Lo Low (pH 4.5-6) 2.73 2.04 -48.08 1 6 1 82 305.354 6 ↓

Analogs

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Popular Name: 2-[(3-cyano-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)oxy]-N-(2,4-dimethoxyphenyl)acetamide 2-[(3-cyano-7,7-dimethyl-5,8-dih…

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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) 2.84 4.77 -17.62 1 8 0 103 397.431 6 ↓

Analogs

28286674
28286674

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Popular Name: 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbohydrazide 2-amino-7,7-dimethyl-5,8-dihydro…

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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) 0.04 -0.08 -10.01 5 6 0 103 236.275 1 ↓
Lo Low (pH 4.5-6) 0.04 0.33 -32.5 6 6 1 105 237.283 1 ↓

Analogs

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Popular Name: 2-hydrazino-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile 2-hydrazino-7,8-dihydro-5H-pyran…

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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) 0.37 1.8 -6.93 3 5 0 84 190.206 1 ↓

Analogs

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Popular Name: 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboni 2-amino-4-[4-methoxy-3-(pyrrolid…

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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) 2.52 7.76 -34.02 3 6 1 86 365.457 4 ↓

Analogs

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Popular Name: 2-amino-4-(benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile 2-amino-4-(benzofuran-2-yl)-7,8-…

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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) 2.78 5.93 -8.54 2 5 0 85 291.31 1 ↓

Analogs

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Popular Name: 2-amino-4-[5-(hydroxymethyl)-2-furyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile 2-amino-4-[5-(hydroxymethyl)-2-f…

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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) 1.05 1.03 -9.56 3 6 0 105 271.276 2 ↓

Analogs

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Popular Name: 2-amino-4-[1-(o-tolyl)pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile 2-amino-4-[1-(o-tolyl)pyrazol-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) 2.60 7.52 -8.99 2 6 0 90 331.379 2 ↓

Analogs

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Popular Name: 2-(2-hydroxyethylamino)-7,7-dimethyl-5,8-dihydropyrano[5,4-e]pyridine-3-carbonitrile 2-(2-hydroxyethylamino)-7,7-dime…

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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) 1.16 1.7 -8.53 2 5 0 78 247.298 3 ↓

Parameters Provided:

ring.id = 7287
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 = 7287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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