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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) 2.58 11.85 -49.26 2 8 1 103 465.526 6 ↓
Hi High (pH 8-9.5) 2.58 12.61 -39.03 1 8 0 106 464.518 6 ↓
Hi High (pH 8-9.5) 2.58 9.74 -21.17 1 8 0 102 464.518 6 ↓

Analogs

41584803
41584803
41584804
41584804

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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) 2.96 12.77 -49.06 2 8 1 103 479.553 7 ↓
Hi High (pH 8-9.5) 2.96 13.53 -39.06 1 8 0 106 478.545 7 ↓
Hi High (pH 8-9.5) 2.96 10.66 -20.95 1 8 0 102 478.545 7 ↓

Analogs

41584804
41584804
41584802
41584802

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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) 3.32 13.47 -48.85 2 8 1 103 493.58 7 ↓
Hi High (pH 8-9.5) 3.32 11.37 -20.9 1 8 0 102 492.572 7 ↓
Hi High (pH 8-9.5) 3.32 14.24 -39.21 1 8 0 106 492.572 7 ↓

Analogs

41584802
41584802
41584803
41584803

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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) 3.46 13.59 -48.89 2 8 1 103 493.58 8 ↓
Hi High (pH 8-9.5) 3.46 14.34 -38.87 1 8 0 106 492.572 8 ↓
Hi High (pH 8-9.5) 3.46 11.47 -20.74 1 8 0 102 492.572 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) 2.38 12 -49.95 2 9 1 112 509.579 9 ↓
Hi High (pH 8-9.5) 2.38 12.76 -39.82 1 9 0 115 508.571 9 ↓
Hi High (pH 8-9.5) 2.38 9.89 -21.69 1 9 0 111 508.571 9 ↓

Analogs

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Popular Name: (3-acetyl-7-hydroxy-2-oxo-chromen-8-yl)methylBLAHone (3-acetyl-7-hydroxy-2-oxo-chrome…

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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) 2.06 9.71 -62.7 2 7 1 94 407.446 3 ↓
Hi High (pH 8-9.5) 2.06 8.1 -43.03 0 7 -1 96 405.43 3 ↓
Mid Mid (pH 6-8) 2.06 10.24 -31.11 1 7 0 97 406.438 3 ↓

Parameters Provided:

ring.id = 549925
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 = 549925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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