UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzhydrylidene-[(S)-hydroxy-phenyl-(2-pyridyl)methyl]BLAHdione benzhydrylidene-[(S)-hydroxy-phe…

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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) 4.47 14.81 -10.45 2 5 0 79 510.593 5 ↓
Hi High (pH 8-9.5) 4.66 12.29 -49.02 1 5 -1 86 509.585 5 ↓
Lo Low (pH 4.5-6) 4.47 13.04 -32.51 3 5 1 81 511.601 5 ↓

Analogs

1149829
1149829
9425489
9425489

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Popular Name: bis(4-methoxyphenyl)methylene-(m-tolyl)BLAHdione bis(4-methoxyphenyl)methylene-(m…

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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) 6.19 14.72 -10.71 0 5 0 56 477.56 5 ↓

Analogs

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Popular Name: bis-p-tolylmethylene-(3-nitrophenyl)BLAHdione bis-p-tolylmethylene-(3-nitrophe…

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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) 6.49 17.31 -11.56 0 6 0 83 476.532 4 ↓

Analogs

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Popular Name: bis-p-tolylmethylene-(4-nitrophenyl)BLAHdione bis-p-tolylmethylene-(4-nitrophe…

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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) 6.51 17.38 -9.19 0 6 0 83 476.532 4 ↓

Analogs

4550547
4550547
16116153
16116153

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Popular Name: (4,5-dimethyl-2-nitro-phenyl)-isopropylidene-BLAHdione (4,5-dimethyl-2-nitro-phenyl)-is…

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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) 4.59 11.85 -14.29 0 6 0 83 352.39 2 ↓

Analogs

16116153
16116153
4550546
4550546

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Popular Name: (4,5-dimethyl-2-nitro-phenyl)-isopropylidene-BLAHdione (4,5-dimethyl-2-nitro-phenyl)-is…

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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) 4.59 11.86 -12.89 0 6 0 83 352.39 2 ↓

Analogs

4890775
4890775

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Popular Name: cyclohexylidene-(2,4-dimethoxyphenyl)-BLAHdione cyclohexylidene-(2,4-dimethoxyph…

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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) 4.62 1.78 -12.17 0 5 0 55 379.456 3 ↓

Analogs

4890772
4890772

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Popular Name: cyclohexylidene-(2,4-dimethoxyphenyl)-BLAHdione cyclohexylidene-(2,4-dimethoxyph…

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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) 4.62 1.81 -10.56 0 5 0 55 379.456 3 ↓

Analogs

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Popular Name: benzhydrylidene-(2,4-dichlorophenyl)BLAHdione benzhydrylidene-(2,4-dichlorophe…

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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) 6.94 16.85 -8.2 0 3 0 37 472.371 3 ↓

Parameters Provided:

ring.id = 3872
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 = 3872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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