UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-bromo-2-methoxy-phenyl)methylcarbamoylmethyl]-5-chloro-1H-indole-2-carboxylic 3-[(5-bromo-2-methoxy-phenyl)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) 4.03 8.16 -51.68 2 6 -1 94 450.696 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(1-et…

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) 3.65 3.97 -58.14 1 4 1 30 382.503 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(2,7-dimethyl-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(2,7-…

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 2.68 -60.37 2 4 1 41 382.503 7 ↓

Analogs

26160091
26160091

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(5-fl…

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) 2.60 3.1 -58.03 2 4 1 41 386.466 7 ↓

Analogs

26160091
26160091

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(5-fl…

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) 2.55 2.95 -48.12 2 4 1 41 386.466 7 ↓

Analogs

26160091
26160091

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(2,5-…

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) 3.86 2.68 -58.61 2 4 1 41 382.503 7 ↓

Analogs

25810392
25810392

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(5-fl…

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 2.68 -51.15 2 5 1 50 398.502 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(2,5-…

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) 3.70 2.26 -51.89 2 5 1 50 394.539 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide N-(2-dimethylaminoethyl)-2-(2,7-…

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) 3.68 2.27 -51.72 2 5 1 50 394.539 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-1H-indol-3-yl)-N-[(1R)-1-phenylbutyl]acetamide 2-(2-methyl-1H-indol-3-yl)-N-[(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) 3.71 10.09 -12.84 2 3 0 45 320.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-1H-indol-3-yl)-N-[(1S)-1-phenylbutyl]acetamide 2-(2-methyl-1H-indol-3-yl)-N-[(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) 3.71 10.09 -13.3 2 3 0 45 320.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide N-ethyl-N-[(3-fluoro-4-methoxy-p…

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) 3.76 10.32 -13.99 1 4 0 45 354.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-1H-indol-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide 2-(2-methyl-1H-indol-3-yl)-N-[(2…

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) 2.63 6.4 -17.69 2 6 0 73 368.433 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide 2-(5-fluoro-2-methyl-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) 1.79 6.46 -18.34 2 6 0 73 386.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[2-(1-methylindol-3-yl)acetyl]amino]methyl]benzamide 4-[[[2-(1-methylindol-3-yl)acety…

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) 1.66 5.87 -18.06 3 5 0 77 321.38 5 ↓

Analogs

34929549
34929549
34935382
34935382
34935383
34935383
34935384
34935384

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-N-methyl-acetamide 2-(1H-indol-3-yl)-N-[(3-methoxyp…

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 8.77 -16.54 1 4 0 45 308.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]-2-phenyl-acetamide (2S)-2-[[2-(5-fluoro-2-methyl-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) 1.07 4.97 -15.49 4 5 0 88 339.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]-2-phenyl-acetamide (2R)-2-[[2-(5-fluoro-2-methyl-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) 1.07 4.96 -18.12 4 5 0 88 339.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-hydroxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide N-[(4-hydroxyphenyl)methyl]-2-(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) 2.36 6.23 -13.66 2 4 0 54 294.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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 8.78 -16.97 2 5 0 71 336.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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 8.79 -17.4 2 5 0 71 336.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyano-(2,4-difluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide N-[(R)-cyano-(2,4-difluorophenyl…

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 9.74 -17.6 1 4 0 58 339.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyano-(2,4-difluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide N-[(S)-cyano-(2,4-difluorophenyl…

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 9.72 -18.65 1 4 0 58 339.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-phenyl-acetamide (2S)-2-[[2-(1-ethylindol-3-yl)ac…

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) 2.13 7.05 -17.28 3 5 0 77 335.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-phenyl-acetamide (2R)-2-[[2-(1-ethylindol-3-yl)ac…

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) 2.13 7.04 -15.88 3 5 0 77 335.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]acetamide 2-(6-methyl-1H-indol-3-yl)-N-[(2…

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) 3.11 8.82 -17.99 2 6 0 91 323.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-fluoro-1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]acetamide 2-(6-fluoro-1H-indol-3-yl)-N-[(2…

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) 2.82 8.23 -17.61 2 6 0 91 327.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methyl-acetamide N-[(2-hydroxyphenyl)methyl]-2-(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) 2.96 8.1 -13.07 2 4 0 56 294.354 4 ↓
Hi High (pH 8-9.5) 2.96 9.1 -60.91 1 4 -1 59 293.346 4 ↓

Parameters Provided:

ring.id = 7556
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 = 7556 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7556&filter.purchasability=annotated

Embed Link to Results