UCSF
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Analogs

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Popular Name: 6-amino-8-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile 6-amino-8-[3-bromo-5-methoxy-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) 5.94 -0.19 -13.64 2 2 0 95 557.4 7 ↓

Analogs

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Popular Name: 6-amino-8-{4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxyphenyl}-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile 6-amino-8-{4-[(2-cyanobenzyl)oxy…

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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) 4.76 0.96 -14.44 1 2 0 119 579.35 8 ↓

Analogs

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Popular Name: 6-amino-8-{4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxyphenyl}-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile 6-amino-8-{4-[(2-cyanobenzyl)oxy…

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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) 4.76 0.93 -14.46 1 2 0 119 579.35 8 ↓

Analogs

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Popular Name: (8S)-6-amino-8-(3-bromo-4-propargyloxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8S)-6-amino-8-(3-bromo-4-propar…

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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) 3.56 0.24 -12.12 2 6 0 86 425.238 3 ↓

Analogs

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Popular Name: (8R)-6-amino-8-(3-bromo-4-propargyloxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8R)-6-amino-8-(3-bromo-4-propar…

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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) 3.56 0.22 -12.07 2 6 0 86 425.238 3 ↓

Analogs

3628399
3628399
3628402
3628402

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Popular Name: 6-amino-8-{4-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile 6-amino-8-{4-[(3-fluorobenzyl)ox…

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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) 3.99 0.99 -13.5 2 7 0 95 446.434 5 ↓

Analogs

3628399
3628399
3628402
3628402

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Popular Name: 6-amino-8-{4-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile 6-amino-8-{4-[(3-fluorobenzyl)ox…

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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) 3.99 1 -13.88 2 7 0 95 446.434 5 ↓

Analogs

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Popular Name: (8R)-6-amino-8-(2,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8R)-6-amino-8-(2,4,5-trimethoxy…

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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) 2.24 3.56 -12.79 2 8 0 105 382.372 4 ↓

Analogs

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Popular Name: (8S)-6-amino-8-(2,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8S)-6-amino-8-(2,4,5-trimethoxy…

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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) 2.24 3.56 -12.87 2 8 0 105 382.372 4 ↓

Analogs

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Popular Name: (8R)-6-amino-8-(3-ethoxy-4-hydroxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8R)-6-amino-8-(3-ethoxy-4-hydro…

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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) 2.32 3 -11.59 3 7 0 107 352.346 3 ↓

Analogs

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Popular Name: (8S)-6-amino-8-(3-ethoxy-4-hydroxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8S)-6-amino-8-(3-ethoxy-4-hydro…

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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) 2.32 3 -11.42 3 7 0 107 352.346 3 ↓

Analogs

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Popular Name: (8R)-6-amino-8-[5-(3-chlorophenyl)-2-furyl]-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8R)-6-amino-8-[5-(3-chloropheny…

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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) 4.44 7.27 -10.52 2 6 0 91 392.798 2 ↓

Analogs

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Popular Name: (8S)-6-amino-8-[5-(3-chlorophenyl)-2-furyl]-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8S)-6-amino-8-[5-(3-chloropheny…

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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) 4.44 7.43 -10.38 2 6 0 91 392.798 2 ↓

Parameters Provided:

ring.id = 232659
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 = 232659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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