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

Analogs

41513999
41513999
41515039
41515039

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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) 3.35 10.88 -44.64 2 7 1 84 451.543 8 ↓
Mid Mid (pH 6-8) 3.35 8.62 -16.47 1 7 0 83 450.535 8 ↓
Mid Mid (pH 6-8) 3.35 10.88 -43.34 2 7 1 84 451.543 8 ↓

Analogs

41584951
41584951
41514002
41514002
41515042
41515042
41514008
41514008
41515048
41515048

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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) 3.72 11.81 -44.35 2 7 1 84 465.57 9 ↓
Mid Mid (pH 6-8) 3.72 11.8 -43.05 2 7 1 84 465.57 9 ↓
Mid Mid (pH 6-8) 3.72 9.54 -16.24 1 7 0 83 464.562 9 ↓

Analogs

41514005
41514005
41515045
41515045

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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) 4.09 12.51 -44.15 2 7 1 84 479.597 9 ↓
Mid Mid (pH 6-8) 4.09 10.25 -16.11 1 7 0 83 478.589 9 ↓
Mid Mid (pH 6-8) 4.09 12.5 -42.97 2 7 1 84 479.597 9 ↓

Analogs

41584949
41584949
41514008
41514008
41515048
41515048
41514002
41514002
41515042
41515042

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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) 4.23 12.61 -44.32 2 7 1 84 479.597 10 ↓
Mid Mid (pH 6-8) 4.23 10.35 -16.05 1 7 0 83 478.589 10 ↓
Mid Mid (pH 6-8) 4.23 12.6 -42.95 2 7 1 84 479.597 10 ↓

Analogs

41514011
41514011
41515051
41515051

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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) 3.14 11.03 -45.59 2 8 1 94 495.596 11 ↓
Mid Mid (pH 6-8) 3.14 11.03 -44.28 2 8 1 94 495.596 11 ↓
Mid Mid (pH 6-8) 3.14 8.78 -17.45 1 8 0 92 494.588 11 ↓

Analogs

41514017
41514017
41515062
41515062

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Popular Name: 3-acetyl-8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-chromen-2-one 3-acetyl-8-[(4-benzylpiperazin-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) 2.83 8.74 -42.56 2 6 1 75 393.463 5 ↓
Hi High (pH 8-9.5) 2.83 7.02 -36.12 0 6 -1 77 391.447 5 ↓
Mid Mid (pH 6-8) 2.83 8.71 -45.83 2 6 1 75 393.463 5 ↓

Parameters Provided:

ring.id = 549978
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 = 549978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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