UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233231
12233231

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-thiazol-2-yl-acetamide 2-(oxo-phenyl-BLAHyl)-N-thiazol-…

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) 1.77 -2.22 -17.37 1 8 0 95 410.484 4 ↓

Analogs

12233227
12233227

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-thiazol-2-yl-acetamide 2-(oxo-phenyl-BLAHyl)-N-thiazol-…

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) 1.77 -2.38 -14.74 1 8 0 95 410.484 4 ↓

Analogs

12233430
12233430

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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) 1.93 -1.65 -13.19 1 8 0 95 428.474 4 ↓

Analogs

12233426
12233426

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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) 1.93 -1.51 -15.14 1 8 0 95 428.474 4 ↓

Analogs

12233439
12233439

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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) 2.16 -1.49 -13.35 1 8 0 95 442.501 4 ↓

Analogs

12233434
12233434

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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) 2.16 -1.49 -13.34 1 8 0 95 442.501 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.43 11.01 -19.41 1 10 0 121 496.574 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.43 11.01 -20.14 1 10 0 121 496.574 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.06 11.68 -19.3 1 10 0 121 510.601 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.06 11.68 -20.51 1 10 0 121 510.601 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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) 2.86 9.69 -14.36 1 8 0 95 458.956 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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) 2.86 9.72 -14.62 1 8 0 95 458.956 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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) 2.45 9.08 -12.89 1 8 0 95 444.929 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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) 2.45 9.41 -14.96 1 8 0 95 444.929 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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) 2.67 9.7 -13.17 1 8 0 95 458.956 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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) 2.67 9.71 -13.1 1 8 0 95 458.956 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.59 11.08 -17.79 1 10 0 121 514.564 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.59 11.08 -18.47 1 10 0 121 514.564 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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) 2.81 9.76 -14.74 1 8 0 95 438.538 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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) 2.81 10.1 -16.78 1 8 0 95 438.538 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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) 3.03 10.38 -14.98 1 8 0 95 452.565 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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) 3.03 10.38 -14.89 1 8 0 95 452.565 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(2,4-dimethylphenyl)-oxo-BLAH…

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) 2.81 10.39 -15.91 1 8 0 95 438.538 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-thiazol-2-yl-acetamide 2-[(2,4-dimethylphenyl)-oxo-BLAH…

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) 2.81 10.43 -14.21 1 8 0 95 438.538 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(2,4-dimethylphenyl)-oxo-BLAH…

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) 3.03 10.69 -14.29 1 8 0 95 452.565 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-(4-methylthiazol-2-yl)acetamide 2-[(2,4-dimethylphenyl)-oxo-BLAH…

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) 3.03 11.04 -13.93 1 8 0 95 452.565 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[oxo-(p-tolyl)BLAHyl]-N-thiazol-2-yl-acetamide 2-[oxo-(p-tolyl)BLAHyl]-N-thiazo…

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) 2.22 9.24 -14.42 1 8 0 95 424.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[oxo-(p-tolyl)BLAHyl]-N-thiazol-2-yl-acetamide 2-[oxo-(p-tolyl)BLAHyl]-N-thiazo…

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) 2.22 9.56 -16.53 1 8 0 95 424.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylthiazol-2-yl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(4-methylthiazol-2-yl)-2-[oxo-…

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) 2.44 9.87 -14.51 1 8 0 95 438.538 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylthiazol-2-yl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(4-methylthiazol-2-yl)-2-[oxo-…

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) 2.44 9.86 -14.62 1 8 0 95 438.538 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.88 11.7 -19.08 1 10 0 121 510.601 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.88 11.69 -19.87 1 10 0 121 510.601 8 ↓

Parameters Provided:

ring.id = 97657
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 = 97657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=97657&filter.purchasability=annotated

Embed Link to Results