UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15681699
15681699

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-isopentyl-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide 5-fluoro-N-isopentyl-1-methyl-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) 1.77 8.43 -21.31 1 5 0 54 345.418 5 ↓

Analogs

15681694
15681694

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-(3-methoxypropyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide 5-fluoro-N-(3-methoxypropyl)-1-m…

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) 0.37 6.19 -21.73 1 6 0 64 347.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-(3-isopropoxypropyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide 5-fluoro-N-(3-isopropoxypropyl)-…

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) 1.11 7.94 -21.46 1 6 0 64 375.444 7 ↓

Analogs

15681680
15681680

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide N-ethyl-5-fluoro-1-methyl-3-(2-o…

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) 0.49 6.38 -21.61 1 5 0 54 303.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N,1-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide 5-fluoro-N,1-dimethyl-3-(2-oxopy…

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) 0.12 5.57 -20.67 1 5 0 54 289.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide N-(2-dimethylaminoethyl)-5-metho…

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) 1.01 7.02 -62.15 2 7 1 68 359.45 6 ↓
Hi High (pH 8-9.5) 1.01 4.48 -23.46 1 7 0 67 358.442 6 ↓

Analogs

15681788
15681788

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-propyl-indole-2-carboxamide 5-methoxy-1-methyl-3-(2-oxopyrro…

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) 1.86 6.37 -23.24 1 6 0 64 329.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-N-(2-methoxyethyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide 5-methoxy-N-(2-methoxyethyl)-1-m…

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) 0.97 4.68 -23.04 1 7 0 73 345.399 6 ↓

Analogs

15681782
15681782

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-N-(3-methoxypropyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide 5-methoxy-N-(3-methoxypropyl)-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) 1.24 5.43 -23.42 1 7 0 73 359.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-N,1-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide 5-methoxy-N,1-dimethyl-3-(2-oxop…

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) 0.98 4.77 -24.1 1 6 0 64 301.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)-N-propyl-indole-2-carboxamide 1,5-dimethyl-3-(2-oxopyrrolidin-…

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) 2.25 7.72 -21.45 1 5 0 54 313.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxypropyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide N-(3-ethoxypropyl)-1,5-dimethyl-…

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) 2.01 7.75 -21.52 1 6 0 64 357.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide N-(3-methoxypropyl)-1,5-dimethyl…

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) 1.63 6.76 -21.37 1 6 0 64 343.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide N-butyl-1,5-dimethyl-3-(2-oxopyr…

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 8.49 -21.26 1 5 0 54 327.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1,5-trimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide N,1,5-trimethyl-3-(2-oxopyrrolid…

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) 1.38 6.17 -20.6 1 5 0 54 285.347 2 ↓

Parameters Provided:

ring.id = 85230
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 = 85230 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=85230&filter.purchasability=annotated

Embed Link to Results