UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9621586
9621586

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Popular Name: 3-ethylsulfonyl-N-BLAHyl-benzamide 3-ethylsulfonyl-N-BLAHyl-benzamide

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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) 3.23 -5.36 -19.03 1 5 0 76 416.549 4 ↓

Analogs

10253643
10253643

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Popular Name: 4-ethylsulfonyl-N-BLAHyl-benzamide 4-ethylsulfonyl-N-BLAHyl-benzamide

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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) 3.26 -5.36 -17.09 1 5 0 76 416.549 4 ↓

Analogs

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Popular Name: 2-(4H-thiochromeno[4,3-d]thiazol-2-yl)acetonitrile 2-(4H-thiochromeno[4,3-d]thiazol…

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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) 2.69 7.42 -12.41 0 2 0 37 244.344 1 ↓

Analogs

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Popular Name: 2-(2-thienyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)acetamide 2-(2-thienyl)-N-(4H-thiochromeno…

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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) 4.00 9.27 -14.53 1 3 0 42 344.486 3 ↓

Analogs

7573377
7573377

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Popular Name: N-(4H-thiochromeno[4,3-d]thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide N-(4H-thiochromeno[4,3-d]thiazol…

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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) 5.31 11.9 -13.85 1 3 0 42 380.538 3 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)butanamide 4-(4-chlorophenyl)sulfonyl-N-(4H…

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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) 4.01 9.25 -24.68 1 5 0 76 465.021 6 ↓

Analogs

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Popular Name: (2R)-1-methylsulfonyl-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-2-carboxamide (2R)-1-methylsulfonyl-N-(4H-thio…

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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) 2.60 6.87 -15.19 1 6 0 79 409.558 3 ↓

Analogs

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Popular Name: (2S)-1-methylsulfonyl-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-2-carboxamide (2S)-1-methylsulfonyl-N-(4H-thio…

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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) 2.60 6.88 -15.55 1 6 0 79 409.558 3 ↓

Analogs

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Popular Name: (3R)-1-(benzenesulfonyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-3-carboxamide (3R)-1-(benzenesulfonyl)-N-(4H-t…

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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) 4.01 9.34 -17.16 1 6 0 79 471.629 4 ↓

Analogs

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Popular Name: (3S)-1-(benzenesulfonyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-3-carboxamide (3S)-1-(benzenesulfonyl)-N-(4H-t…

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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) 4.01 9.35 -15.92 1 6 0 79 471.629 4 ↓

Analogs

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Popular Name: (3R)-1-(4-chlorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-3-carboxamide (3R)-1-(4-chlorophenyl)sulfonyl-…

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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) 4.69 9.86 -16.19 1 6 0 79 506.074 4 ↓

Analogs

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Popular Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-3-carboxamide (3S)-1-(4-chlorophenyl)sulfonyl-…

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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) 4.69 9.84 -16.08 1 6 0 79 506.074 4 ↓

Analogs

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Popular Name: (3R)-1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-3-carboxamide (3R)-1-(4-fluorophenyl)sulfonyl-…

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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) 4.17 9.41 -16.48 1 6 0 79 489.619 4 ↓

Analogs

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Popular Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)piperidine-3-carboxamide (3S)-1-(4-fluorophenyl)sulfonyl-…

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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) 4.17 9.39 -16.46 1 6 0 79 489.619 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.77 7.6 -11.93 0 3 0 39 277.37 3 ↓

Parameters Provided:

ring.id = 7988
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 = 7988 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7988&filter.purchasability=annotated

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