UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-methoxyphenyl)BLAHone (4-methoxyphenyl)BLAHone

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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) 4.25 10.16 -11.4 0 4 0 45 348.398 2 ↓

Analogs

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Popular Name: 2-[4-[dimethoxy(oxo)BLAHyl]butyl]isoindoline-1,3-dione 2-[4-[dimethoxy(oxo)BLAHyl]butyl…

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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) 4.48 11.92 -20.37 0 8 0 93 503.551 7 ↓

Analogs

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Popular Name: dimethoxy-(4-methoxyphenyl)BLAHone dimethoxy-(4-methoxyphenyl)BLAHone

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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) 3.87 9.35 -13.96 0 6 0 63 408.45 4 ↓

Analogs

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Popular Name: dimethoxy-dimethyl-(3-thienyl)BLAHone dimethoxy-dimethyl-(3-thienyl)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) 4.05 9.9 -12.79 0 5 0 54 412.507 3 ↓

Analogs

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Popular Name: dimethyl-oxo-(3-thienyl)BLAHcarbonitrile dimethyl-oxo-(3-thienyl)BLAHcarb…

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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) 4.16 11.09 -10.33 0 4 0 59 377.465 1 ↓

Analogs

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Popular Name: 2-[4-(oxoBLAHyl)butyl]isoindoline-1,3-dione 2-[4-(oxoBLAHyl)butyl]isoindolin…

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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) 4.85 12.76 -17.56 0 6 0 75 443.499 5 ↓

Analogs

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Popular Name: 2-[4-[dimethyl(oxo)BLAHyl]butyl]isoindoline-1,3-dione 2-[4-[dimethyl(oxo)BLAHyl]butyl]…

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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) 5.51 13.72 -16.8 0 6 0 75 471.553 5 ↓

Analogs

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Popular Name: dimethoxy-(4-methoxyphenyl)-dimethyl-BLAHone dimethoxy-(4-methoxyphenyl)-dime…

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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) 4.52 10.28 -13.77 0 6 0 63 436.504 4 ↓

Analogs

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Popular Name: 2-[4-(dimethoxy-dimethyl-oxo-BLAHyl)butyl]isoindoline-1,3-dione 2-[4-(dimethoxy-dimethyl-oxo-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) 5.13 12.9 -19.53 0 8 0 93 531.605 7 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-dimethyl-BLAHone (4-methoxyphenyl)-dimethyl-BLAHone

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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) 4.90 11.09 -11.29 0 4 0 45 376.452 2 ↓

Analogs

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Popular Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-dimethyl-oxo-BLAHcarbonitrile 4-(1,3-dioxoisoindolin-2-yl)buty…

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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) 5.24 14.09 -16.96 0 7 0 98 496.563 5 ↓

Parameters Provided:

ring.id = 471745
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 = 471745 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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