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Analogs

36201118
36201118

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Popular Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-(3-ethoxy-4-hydroxy-5-nitro-ph…

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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) 3.72 9.4 -18.73 1 8 0 119 399.399 4 ↓

Analogs

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Popular Name: 2-[5-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)-2-furyl]benzoic 2-[5-(3,3,6,6-tetramethyl-1,8-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) 5.43 4.03 -71.14 0 6 -1 97 459.518 3 ↓

Analogs

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Popular Name: 9-[4-methoxy-3-(morpholinomethyl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dion 9-[4-methoxy-3-(morpholinomethyl…

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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) 4.83 10.4 -20.24 0 6 0 65 479.617 4 ↓

Analogs

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Popular Name: 9-(4-bromophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione 9-(4-bromophenyl)-3,3,6,6-tetram…

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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) 6.01 2.82 -16.94 0 3 0 43 429.354 1 ↓

Analogs

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Popular Name: 2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-chlorobenzenesulfonate 2-methoxy-4-(3,3,6,6-tetramethyl…

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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) 6.63 -0.18 -26.07 0 7 0 95 571.091 5 ↓

Analogs

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Popular Name: [4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] [4-(3,3,6,6-tetramethyl-1,8-diox…

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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) 7.49 16.74 -24.56 0 5 0 70 484.592 4 ↓

Analogs

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Popular Name: 9-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xan 9-[4-methoxy-3-(thiomorpholin-4-…

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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) 5.37 3.28 -34.6 1 5 1 57 496.693 4 ↓

Analogs

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Popular Name: 9-[4-methoxy-3-(methoxymethyl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone 9-[4-methoxy-3-(methoxymethyl)ph…

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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) 5.14 3.52 -23.07 0 5 0 61 424.537 4 ↓

Analogs

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Popular Name: 9-(4-bromo-5-ethyl-2-thienyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone 9-(4-bromo-5-ethyl-2-thienyl)-3,…

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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) 6.16 13.3 -19.54 0 3 0 43 463.437 2 ↓

Analogs

1158224
1158224

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Popular Name: 9-(3-chloro-4-methoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione 9-(3-chloro-4-methoxy-phenyl)-3,…

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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) 5.86 11.72 -16.83 0 4 0 53 414.929 2 ↓

Analogs

1158127
1158127

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Popular Name: 9-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione 9-[3-[(4-chlorophenyl)methoxy]ph…

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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) 7.50 15.66 -23.21 0 4 0 53 491.027 4 ↓

Parameters Provided:

ring.id = 69285
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 = 69285 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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