UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-2-(2-thienyl)indole-3-carbonitrile 1-methyl-2-(2-thienyl)indole-3-c…

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) 3.37 2.58 -8.55 0 2 0 29 238.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-(2-thienyl)indole-3-carbonitrile 1-ethyl-2-(2-thienyl)indole-3-ca…

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) 3.74 2.73 -8.31 0 2 0 29 252.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-methyl-2-(2-thienyl)indol-3-yl]methanamine [1-methyl-2-(2-thienyl)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) 2.80 -1.84 -40.75 3 2 1 33 243.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-ethyl-2-thien-2-yl-1H-indol-3-yl)methylamine (1-ethyl-2-thien-2-yl-1H-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) 3.17 -1.54 -44.73 3 2 1 33 257.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-bromo-2-(2-thienyl)-1H-indol-3-yl]acetic 2-[5-bromo-2-(2-thienyl)-1H-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) 3.75 8.17 -56.98 1 3 -1 56 335.202 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5,7-dichloro-2-(2-thienyl)-1H-indol-3-yl]acetic 2-[5,7-dichloro-2-(2-thienyl)-1H…

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) 4.23 8.56 -51.96 1 3 -1 56 325.196 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-[2-(2-thienyl)indol-1-yl]acetamide N-isopropyl-2-[2-(2-thienyl)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) 3.46 8.9 -14.26 1 3 0 34 298.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-methoxy-2-(2-thienyl)-1H-indol-3-yl]acetic 2-[7-methoxy-2-(2-thienyl)-1H-in…

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) 2.98 7.78 -54.8 1 4 -1 65 286.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-methoxy-2-(5-methyl-2-thienyl)-1H-indol-3-yl]acetic 2-[7-methoxy-2-(5-methyl-2-thien…

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) 3.20 8.56 -54.93 1 4 -1 65 300.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(5-chloro-2-thienyl)-7-methoxy-1H-indol-3-yl]acetic 2-[2-(5-chloro-2-thienyl)-7-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) 3.78 8.4 -52.05 1 4 -1 65 320.777 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-2-(5-methyl-2-thienyl)-1H-indol-3-yl]acetic 2-[5-methoxy-2-(5-methyl-2-thien…

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) 3.22 8.56 -58.07 1 4 -1 65 300.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(5-chloro-2-thienyl)-5-methoxy-1H-indol-3-yl]acetic 2-[2-(5-chloro-2-thienyl)-5-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) 3.80 8.34 -54.3 1 4 -1 65 320.777 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-2-(5-methyl-2-thienyl)-1H-indol-3-yl]acetic 2-[7-chloro-2-(5-methyl-2-thieny…

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) 3.82 9.78 -50.95 1 3 -1 56 304.778 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-2-(5-chloro-2-thienyl)-1H-indol-3-yl]acetic 2-[7-chloro-2-(5-chloro-2-thieny…

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) 4.40 9.57 -47.02 1 3 -1 56 325.196 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-2-(2-thienyl)-1H-indol-3-yl]acetic 2-[7-chloro-2-(2-thienyl)-1H-ind…

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) 3.60 8.95 -50.19 1 3 -1 56 290.751 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5,7-dimethyl-2-(5-methyl-2-thienyl)-1H-indol-3-yl]acetic 2-[5,7-dimethyl-2-(5-methyl-2-th…

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) 3.99 10.59 -55.81 1 3 -1 56 298.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(5-chloro-2-thienyl)-5,7-dimethyl-1H-indol-3-yl]acetic 2-[2-(5-chloro-2-thienyl)-5,7-di…

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) 4.57 10.38 -51.78 1 3 -1 56 318.805 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5,7-dimethyl-2-(2-thienyl)-1H-indol-3-yl]acetic 2-[5,7-dimethyl-2-(2-thienyl)-1H…

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) 3.77 9.75 -54.99 1 3 -1 56 284.36 3 ↓

Parameters Provided:

ring.id = 44937
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 = 44937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=44937&filter.purchasability=annotated

Embed Link to Results