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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 2.41 8.1 -17.34 0 7 0 82 394.427 6 ↓
Mid Mid (pH 6-8) 2.41 8.84 -44.47 1 7 1 83 395.435 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) 2.79 8.98 -17.06 0 7 0 82 408.454 7 ↓
Mid Mid (pH 6-8) 2.79 9.72 -44.25 1 7 1 83 409.462 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 3.15 9.73 -17.01 0 7 0 82 422.481 7 ↓
Mid Mid (pH 6-8) 3.15 10.48 -44.08 1 7 1 83 423.489 7 ↓

Analogs

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Popular Name: propyl propyl

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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 9.79 -16.87 0 7 0 82 422.481 8 ↓
Mid Mid (pH 6-8) 3.29 10.52 -44.04 1 7 1 83 423.489 8 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 2.21 8.25 -18.31 0 8 0 91 438.48 9 ↓
Mid Mid (pH 6-8) 2.21 8.99 -45.79 1 8 1 92 439.488 9 ↓

Analogs

13721604
13721604
13690978
13690978

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Popular Name: 3-acetyl-9-(2-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-acetyl-9-(2-pyridylmethyl)-8,1…

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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) 1.68 5.51 -12.73 0 6 0 73 336.347 3 ↓
Mid Mid (pH 6-8) 1.68 6.3 -41.66 1 6 1 74 337.355 3 ↓

Parameters Provided:

ring.id = 565186
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 = 565186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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