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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8441699
8441699
8441700
8441700

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-methoxyphenyl)- (2S)-3-(benzofuran-2-carbonyl)-1…

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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) 6.03 13.05 -64.89 0 7 -1 96 509.563 5 ↓
Lo Low (pH 4.5-6) 6.03 12.23 -18.01 1 7 0 93 510.571 5 ↓

Analogs

8441699
8441699
8441700
8441700

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-methoxyphenyl)- (2R)-3-(benzofuran-2-carbonyl)-1…

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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) 6.03 12.99 -65.23 0 7 -1 96 509.563 5 ↓
Lo Low (pH 4.5-6) 6.03 12.17 -18.1 1 7 0 93 510.571 5 ↓

Analogs

8441712
8441712
8441713
8441713

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Popular Name: (2S)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-methoxyphenyl)- (2S)-3-(benzofuran-2-carbonyl)-1…

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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) 6.05 13 -64.33 0 7 -1 96 509.563 5 ↓
Lo Low (pH 4.5-6) 6.05 12.18 -18.03 1 7 0 93 510.571 5 ↓

Analogs

8441712
8441712
8441713
8441713

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-methoxyphenyl)- (2R)-3-(benzofuran-2-carbonyl)-1…

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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) 6.05 13.07 -64.21 0 7 -1 96 509.563 5 ↓
Lo Low (pH 4.5-6) 6.05 12.25 -18 1 7 0 93 510.571 5 ↓

Analogs

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Popular Name: (2R)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-2 (2R)-3-(benzofuran-2-carbonyl)-1…

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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) 6.11 13.71 -65.06 0 6 -1 86 497.527 4 ↓
Lo Low (pH 4.5-6) 6.11 12.89 -17.6 1 6 0 84 498.535 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-2 (2S)-3-(benzofuran-2-carbonyl)-1…

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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) 6.11 13.67 -65.04 0 6 -1 86 497.527 4 ↓
Lo Low (pH 4.5-6) 6.11 12.85 -17.6 1 6 0 84 498.535 4 ↓

Analogs

8441690
8441690
8441692
8441692

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(benzofuran-2-carbonyl)-2-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2 (2S)-3-(benzofuran-2-carbonyl)-2…

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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) 6.65 14.25 -65.43 0 6 -1 86 513.982 4 ↓
Lo Low (pH 4.5-6) 6.65 13.43 -18.55 1 6 0 84 514.99 4 ↓

Analogs

8441690
8441690
8441692
8441692

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(benzofuran-2-carbonyl)-2-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2 (2R)-3-(benzofuran-2-carbonyl)-2…

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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) 6.65 14.2 -61.15 0 6 -1 86 513.982 4 ↓
Lo Low (pH 4.5-6) 6.65 13.38 -16.34 1 6 0 84 514.99 4 ↓

Analogs

8441699
8441699
8441700
8441700

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-hydroxyphenyl)- (2S)-3-(benzofuran-2-carbonyl)-1…

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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) 5.50 10.9 -67.45 1 7 -1 107 495.536 4 ↓
Lo Low (pH 4.5-6) 5.50 10.08 -20.74 2 7 0 104 496.544 4 ↓

Analogs

8441699
8441699
8441700
8441700

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-hydroxyphenyl)- (2R)-3-(benzofuran-2-carbonyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.50 10.86 -67.44 1 7 -1 107 495.536 4 ↓
Lo Low (pH 4.5-6) 5.50 10.04 -20.76 2 7 0 104 496.544 4 ↓

Parameters Provided:

ring.id = 13459
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 = 13459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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