UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1-methylindol-3-yl)thiazol-4-yl]acetic 2-[2-(1-methylindol-3-yl)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) 2.67 0.34 -56.73 0 4 -1 58 271.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1,2-dimethylindol-3-yl)thiazol-4-yl]acetic 2-[2-(1,2-dimethylindol-3-yl)thi…

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) 2.89 0.21 -61.31 0 4 -1 58 285.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-ethyl-1-methyl-indol-3-yl)thiazol-4-yl]acetic 2-[2-(2-ethyl-1-methyl-indol-3-y…

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) 3.46 0.36 -61.25 0 4 -1 58 299.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-isopropyl-1-methyl-indol-3-yl)thiazol-4-yl]acetic 2-[2-(2-isopropyl-1-methyl-indol…

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) 3.95 0.52 -61.43 0 4 -1 58 313.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-tert-butyl-1-methyl-indol-3-yl)thiazol-4-yl]acetic 2-[2-(2-tert-butyl-1-methyl-indo…

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) 4.61 0.83 -62.87 0 4 -1 58 327.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1-ethylindol-3-yl)thiazol-4-yl]acetic 2-[2-(1-ethylindol-3-yl)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) 3.05 0.49 -56.39 0 4 -1 58 285.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1-ethyl-2-methyl-indol-3-yl)thiazol-4-yl]acetic 2-[2-(1-ethyl-2-methyl-indol-3-y…

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) 3.27 0.42 -60.75 0 4 -1 58 299.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1,2-diethylindol-3-yl)thiazol-4-yl]acetic 2-[2-(1,2-diethylindol-3-yl)thia…

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) 3.84 0.56 -60.98 0 4 -1 58 313.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1-ethyl-2-isopropyl-indol-3-yl)thiazol-4-yl]acetic 2-[2-(1-ethyl-2-isopropyl-indol-…

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) 4.32 0.67 -61.23 0 4 -1 58 327.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-tert-butyl-1-ethyl-indol-3-yl)thiazol-4-yl]acetic 2-[2-(2-tert-butyl-1-ethyl-indol…

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) 4.99 1.03 -63.04 0 4 -1 58 341.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(1-methylindol-3-yl)thiazole-5-carboxylic 4-methyl-2-(1-methylindol-3-yl)t…

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) 3.04 -0.08 -56.88 0 4 -1 58 271.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2-dimethylindol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(1,2-dimethylindol-3-yl)-4-met…

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) 3.26 0.04 -57.28 0 4 -1 58 285.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethyl-1-methyl-indol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(2-ethyl-1-methyl-indol-3-yl)-…

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) 3.83 0.18 -57.49 0 4 -1 58 299.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-isopropyl-1-methyl-indol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(2-isopropyl-1-methyl-indol-3-…

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) 4.32 0.29 -58.12 0 4 -1 58 313.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butyl-1-methyl-indol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(2-tert-butyl-1-methyl-indol-3…

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) 4.98 0.6 -59.36 0 4 -1 58 327.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-ethylindol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(1-ethylindol-3-yl)-4-methyl-t…

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) 3.41 0.07 -56.45 0 4 -1 58 285.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-ethyl-2-methyl-indol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(1-ethyl-2-methyl-indol-3-yl)-…

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) 3.64 0.15 -56.81 0 4 -1 58 299.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2-diethylindol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(1,2-diethylindol-3-yl)-4-meth…

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) 4.21 0.3 -57.03 0 4 -1 58 313.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-ethyl-2-isopropyl-indol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(1-ethyl-2-isopropyl-indol-3-y…

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) 4.69 0.44 -57.67 0 4 -1 58 327.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butyl-1-ethyl-indol-3-yl)-4-methyl-thiazole-5-carboxylic 2-(2-tert-butyl-1-ethyl-indol-3-…

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) 5.36 0.66 -57.38 0 4 -1 58 341.456 4 ↓

Parameters Provided:

ring.id = 30618
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 = 30618 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30618&filter.purchasability=annotated

Embed Link to Results