UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[6-ethyl-4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxy-N-(1-ethylpropyl)acetamide 2-[6-ethyl-4-oxo-3-(4-phenylphen…

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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) 7.02 15.18 -19.41 1 6 0 78 485.58 10 ↓

Analogs

1966320
1966320

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Popular Name: 7-ethoxy-3-(4-phenylphenoxy)chromone 7-ethoxy-3-(4-phenylphenoxy)chro…

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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) 5.70 3.42 -12.28 0 4 0 48 358.393 5 ↓

Analogs

1947140
1947140
1966322
1966322
1966330
1966330
1966331
1966331

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Popular Name: 2-[4-keto-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic-acid-methyl-ester 2-[4-keto-3-(4-phenylphenoxy)chr…

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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) 5.19 4.58 -17.48 0 6 0 74 402.402 7 ↓

Analogs

1947140
1947140
1966321
1966321
1966322
1966322
1966330
1966330
1966331
1966331

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Popular Name: 2-[4-keto-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic-acid-ethyl-ester 2-[4-keto-3-(4-phenylphenoxy)chr…

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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) 5.57 4.55 -17.1 0 6 0 74 416.429 8 ↓

Analogs

1961069
1961069

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Popular Name: (2S)-2-[4-keto-3-(4-phenylphenoxy)chromen-7-yl]oxypropionic-acid-methyl-ester (2S)-2-[4-keto-3-(4-phenylphenox…

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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) 5.55 4.87 -17.31 0 6 0 74 416.429 7 ↓

Analogs

1961069
1961069

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Popular Name: (2R)-2-[4-keto-3-(4-phenylphenoxy)chromen-7-yl]oxypropionic-acid-methyl-ester (2R)-2-[4-keto-3-(4-phenylphenox…

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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) 5.55 4.82 -15.05 0 6 0 74 416.429 7 ↓

Analogs

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Popular Name: carbonic-acid-[4-keto-3-(4-phenylphenoxy)chromen-7-yl]-methyl-ester carbonic-acid-[4-keto-3-(4-pheny…

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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) 5.18 5.45 -13.41 0 6 0 74 388.375 6 ↓

Parameters Provided:

ring.id = 94494
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 = 94494 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=94494&filter.purchasability=annotated

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