UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: chloro(phenyl)dispiro[BLAH]trione chloro(phenyl)dispiro[BLAH]trione

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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) 4.49 10.29 -11.33 1 5 0 66 486.98 1 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)dispiro[BLAH]trione (3,4-dimethoxyphenyl)dispiro[BLA…

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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) 3.48 8.95 -14.53 1 7 0 85 512.587 3 ↓

Analogs

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Popular Name: nitro(phenyl)dispiro[BLAH]trione nitro(phenyl)dispiro[BLAH]trione

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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) 3.77 10.49 -14.28 1 8 0 112 497.532 2 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)-nitro-dispiro[BLAH]trione (3,4-dimethoxyphenyl)-nitro-disp…

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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) 3.41 9.68 -16.62 1 10 0 131 557.584 4 ↓

Analogs

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Popular Name: nitro-(3,4,5-trimethoxyphenyl)dispiro[BLAH]trione nitro-(3,4,5-trimethoxyphenyl)di…

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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) 3.40 9.62 -17.44 1 11 0 140 587.61 5 ↓

Analogs

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Popular Name: (4-isopropylphenyl)dispiro[BLAH]trione (4-isopropylphenyl)dispiro[BLAH]…

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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) 5.34 11.7 -11.97 1 5 0 66 494.616 2 ↓

Analogs

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Popular Name: (3-bromophenyl)-nitro-dispiro[BLAH]trione (3-bromophenyl)-nitro-dispiro[BL…

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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) 4.55 11.08 -13.7 1 8 0 112 576.428 2 ↓

Analogs

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Popular Name: chloro-(4-isopropylphenyl)dispiro[BLAH]trione chloro-(4-isopropylphenyl)dispir…

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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) 6.00 12.23 -10.98 1 5 0 66 529.061 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)dispiro[BLAH]trione (4-chlorophenyl)dispiro[BLAH]trione

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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) 4.51 10.26 -11.43 1 5 0 66 486.98 1 ↓

Analogs

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Popular Name: (2-chlorophenyl)-nitro-dispiro[BLAH]trione (2-chlorophenyl)-nitro-dispiro[B…

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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) 3.92 10.88 -14.99 1 8 0 112 531.977 2 ↓

Analogs

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Popular Name: chloro-(4-methoxyphenyl)dispiro[BLAH]trione chloro-(4-methoxyphenyl)dispiro[…

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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 9.6 -12.5 1 6 0 76 517.006 2 ↓

Analogs

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Popular Name: (2-bromophenyl)-chloro-dispiro[BLAH]trione (2-bromophenyl)-chloro-dispiro[B…

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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) 4.77 10.78 -11.19 1 5 0 66 565.876 1 ↓

Parameters Provided:

ring.id = 369447
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 = 369447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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