UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2387194
2387194
15020084
15020084

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Popular Name: [(2R,3R,4S,5S,6S)-5-acetamido-3,4-dihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl] [(2R,3R,4S,5S,6S)-5-acetamido-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) -2.67 -1.68 -49.55 3 12 -1 185 458.421 6 ↓

Analogs

1464267
1464267
4081872
4081872

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Popular Name: N-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyr N-[(2S,3S,4S,5R,6R)-4,5-dihydrox…

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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) -0.34 -0.88 -21.66 4 9 0 138 379.365 4 ↓

Analogs

1464267
1464267
4081872
4081872

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Popular Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyr N-[(2S,3S,4S,5S,6R)-4,5-dihydrox…

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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) -0.34 -0.66 -22.93 4 9 0 138 379.365 4 ↓

Analogs

519405
519405
2047175
2047175

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Popular Name: 4-methyl-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-2-one 4-methyl-7-[(2S,3S,4R,5R,6S)-3,4…

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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) 1.11 0.48 -18.14 3 7 0 109 322.313 2 ↓

Analogs

519405
519405
2047175
2047175

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Popular Name: 4-methyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-2-one 4-methyl-7-[(2R,3S,4R,5R,6S)-3,4…

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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) 1.11 0.36 -15.66 3 7 0 109 322.313 2 ↓

Analogs

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Popular Name: 8-hydroxy-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-o 8-hydroxy-7-[(2S,3S,4S,5S,6S)-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) -0.76 -4.61 -19.23 5 9 0 150 340.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-hydroxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-o 8-hydroxy-7-[(2S,3S,4S,5S,6R)-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) -0.76 -4.94 -18.82 5 9 0 150 340.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-hydroxy-7-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-o 8-hydroxy-7-[(2R,3S,4S,5S,6S)-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) -0.76 -5.23 -18.59 5 9 0 150 340.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-hydroxy-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-o 8-hydroxy-7-[(2R,3S,4S,5S,6R)-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) -0.76 -5.28 -21.4 5 9 0 150 340.284 3 ↓

Analogs

38599671
38599671
44699305
44699305
22064126
22064126
22064130
22064130

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Popular Name: [(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran [(2R,3S,4R,5S,6S)-4,5-dihydroxy-…

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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) -2.64 -5.07 -68.09 4 11 -1 179 416.384 5 ↓

Analogs

44699305
44699305
22064126
22064126
22064130
22064130

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran [(2R,3S,4R,5S,6R)-4,5-dihydroxy-…

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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) -2.64 -5.52 -52.09 4 11 -1 179 416.384 5 ↓

Analogs

2554964
2554964
2556379
2556379

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Popular Name: 4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate sodium salt 4-Methylumbelliferyl b-D-galacto…

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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) -2.23 -2.68 -55.23 3 11 -1 176 417.368 5 ↓

Analogs

2554964
2554964
2556379
2556379

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Popular Name: 4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate sodium salt 4-Methylumbelliferyl b-D-galacto…

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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) -2.23 -2.03 -53.5 3 11 -1 176 417.368 5 ↓

Analogs

16032567
16032567
16032568
16032568
16032569
16032569

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Popular Name: [(2S,3R,4S,5S,6S)-4,5-diacetoxy-2-(hydroxymethyl)-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran [(2S,3R,4S,5S,6S)-4,5-diacetoxy-…

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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) 1.78 9.15 -18.92 1 11 0 148 464.423 9 ↓

Analogs

16032567
16032567
16032568
16032568
16032569
16032569

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R,4S,5S,6S)-4,5-diacetoxy-2-(hydroxymethyl)-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran [(2R,3R,4S,5S,6S)-4,5-diacetoxy-…

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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) 1.78 9.05 -23.73 1 11 0 148 464.423 9 ↓

Parameters Provided:

ring.id = 94241
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 = 94241 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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