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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Chinikomycin A Chinikomycin A

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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) 5.59 9.3 -21.46 4 8 0 133 569.098 12 ↓
Hi High (pH 8-9.5) 6.73 9.61 -53.49 4 8 -1 139 568.09 12 ↓
Hi High (pH 8-9.5) 6.73 10.37 -94.56 3 8 -2 142 567.082 12 ↓

Analogs

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Popular Name: 2,2-Dimethyl-1,3-cyclopentanedione 2,2-Dimethyl-1,3-cyclopentanedione

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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) 0.21 3.51 -6.23 0 2 0 34 126.155 0 ↓

Analogs

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Popular Name: (4S)-3,4-dihydroxycyclopent-2-en-1-one (4S)-3,4-dihydroxycyclopent-2-en…

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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) -1.59 -0.96 -7.18 1 3 0 54 114.1 0 ↓
Hi High (pH 8-9.5) -0.84 -2.13 -39.24 1 3 -1 60 113.092 0 ↓

Analogs

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Popular Name: (4R)-3,4-dihydroxycyclopent-2-en-1-one (4R)-3,4-dihydroxycyclopent-2-en…

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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) -1.59 -0.47 -8.33 1 3 0 54 114.1 0 ↓
Hi High (pH 8-9.5) -0.84 -2.13 -39.24 1 3 -1 60 113.092 0 ↓

Analogs

35455135
35455135
35455139
35455139

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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) 2.22 12.2 -14.71 0 8 0 113 500.588 4 ↓

Analogs

31350940
31350940
31350945
31350945
1845623
1845623

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Popular Name: 2-[(2E)-2-(6-methoxytetralin-1-ylidene)ethyl]-2-methyl-cyclopentane-1,3-dione 2-[(2E)-2-(6-methoxytetralin-1-y…

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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) 2.61 9.26 -8.8 0 3 0 43 298.382 3 ↓

Analogs

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Popular Name: 2-[(2E)-2-(7-methoxychroman-4-ylidene)ethyl]-2-methyl-cyclopentane-1,3-dione 2-[(2E)-2-(7-methoxychroman-4-yl…

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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) 1.97 7.42 -10.72 0 4 0 53 300.354 3 ↓

Analogs

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Popular Name: 2-(3-oxobutyl)cyclopentane-1,3-dione 2-(3-oxobutyl)cyclopentane-1,3-d…

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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) -0.49 4.43 -10.48 0 3 0 51 168.192 3 ↓

Analogs

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Popular Name: (4-bromobenzoyl)-(p-tolyl)BLAHdione (4-bromobenzoyl)-(p-tolyl)BLAHdione

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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 14.66 -20.92 0 5 0 67 513.391 3 ↓

Parameters Provided:

ring.id = 8421
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 = 8421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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