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

Analogs

33737447
33737447
33737448
33737448

Draw Identity 99% 90% 80% 70%

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) 3.67 11.59 -10.2 1 6 0 63 393.487 9 ↓
Lo Low (pH 4.5-6) 3.67 12.4 -31.38 2 6 1 65 394.495 9 ↓
Lo Low (pH 4.5-6) 3.67 11.28 -34.08 2 6 1 65 394.495 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.48 12.21 -9.06 1 6 0 63 472.383 9 ↓
Lo Low (pH 4.5-6) 4.48 13.02 -34.1 2 6 1 65 473.391 9 ↓
Lo Low (pH 4.5-6) 4.48 11.91 -36.54 2 6 1 65 473.391 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.54 12.61 -9.37 1 6 0 63 461.484 10 ↓
Lo Low (pH 4.5-6) 4.54 12.3 -38.33 2 6 1 65 462.492 9 ↓
Lo Low (pH 4.5-6) 4.54 13.42 -34.89 2 6 1 65 462.492 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.81 14.81 -31.57 2 5 1 56 392.523 8 ↓
Mid Mid (pH 6-8) 4.81 12.94 -5.77 1 5 0 54 391.515 7 ↓
Mid Mid (pH 6-8) 4.81 13.68 -33.51 2 5 1 56 392.523 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.88 16.13 -49.75 2 6 1 58 467.609 12 ↓

Parameters Provided:

ring.id = 254856
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 = 254856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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