UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2-(2-methylindol-1-yl)acetamide N-cyclopropyl-N-(2-hydroxyethyl)…

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) 1.53 6.66 -11.86 1 4 0 45 272.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-aminoethyl)indol-1-yl]-N-cyclopropyl-acetamide 2-[3-(2-aminoethyl)indol-1-yl]-N…

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) 0.61 5.47 -53.13 4 4 1 62 258.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-aminoethyl)indol-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[3-(2-aminoethyl)indol-1-yl]-N…

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) 0.86 7.13 -53.6 3 4 1 53 272.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-aminoethyl)indol-1-yl]-N-cyclopropyl-N-ethyl-acetamide 2-[3-(2-aminoethyl)indol-1-yl]-N…

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) 1.23 7.87 -52.94 3 4 1 53 286.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-indol-1-yl-N-methyl-acetamide N-cyclopropyl-2-indol-1-yl-N-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) 1.94 8.3 -13.46 0 3 0 25 228.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-2-(2-methylindol-1-yl)acetamide N-cyclopropyl-N-methyl-2-(2-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) 2.17 8.75 -13.34 0 3 0 25 242.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-aminoindol-1-yl)-N-cyclopropyl-N-ethyl-acetamide 2-(5-aminoindol-1-yl)-N-cyclopro…

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) 1.37 6.91 -13.56 2 4 0 51 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-aminoindol-1-yl)-N-cyclopropyl-N-ethyl-acetamide 2-(6-aminoindol-1-yl)-N-cyclopro…

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) 1.37 6.91 -13.42 2 4 0 51 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]indole-3-carboxylic 1-[2-[cyclopropyl(ethyl)amino]-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) 1.82 9.67 -66.62 0 5 -1 65 285.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]indole-2-carboxylic 1-[2-[cyclopropyl(ethyl)amino]-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) 2.13 9.34 -57.94 0 5 -1 65 285.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]indole-4-carboxylic 1-[2-[cyclopropyl(ethyl)amino]-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) 1.84 9.57 -67.38 0 5 -1 65 285.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-aminoindol-1-yl)-N-cyclopropyl-N-methyl-acetamide 2-(5-aminoindol-1-yl)-N-cyclopro…

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) 1.00 6.17 -14.25 2 4 0 51 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-aminoindol-1-yl)-N-cyclopropyl-N-methyl-acetamide 2-(6-aminoindol-1-yl)-N-cyclopro…

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) 1.00 6.18 -14.09 2 4 0 51 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-aminoindol-1-yl)-N-cyclopropyl-acetamide 2-(6-aminoindol-1-yl)-N-cyclopro…

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) 0.75 4.51 -13.5 3 4 0 60 229.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]indol-3-yl]acetic 2-[1-[2-[cyclopropyl(methyl)amin…

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) 1.30 9.66 -59.67 0 5 -1 65 285.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]indole-3-carboxylic 1-[2-[cyclopropyl(methyl)amino]-…

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) 1.44 8.86 -67.8 0 5 -1 65 271.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]indole-2-carboxylic 1-[2-[cyclopropyl(methyl)amino]-…

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) 1.76 8.6 -58.15 0 5 -1 65 271.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]indole-4-carboxylic 1-[2-[cyclopropyl(methyl)amino]-…

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) 1.47 8.75 -68.73 0 5 -1 65 271.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]indole-4-carboxylic 1-[(1S)-2-(cyclopropylamino)-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) 1.59 7.44 -66.77 1 5 -1 74 271.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]indole-4-carboxylic 1-[(1R)-2-(cyclopropylamino)-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) 1.59 7.43 -66.77 1 5 -1 74 271.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(cyclopropylamino)-2-oxo-ethyl]indole-4-carboxylic 1-[2-(cyclopropylamino)-2-oxo-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) 1.22 7.07 -68.36 1 5 -1 74 257.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(5-nitroindol-1-yl)acetamide N-cyclopropyl-2-(5-nitroindol-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) 1.63 7.34 -16.18 1 6 0 80 259.265 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-chloroindol-1-yl)-N-(cyanomethyl)-N-cyclopropyl-acetamide 2-(6-chloroindol-1-yl)-N-(cyanom…

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) 2.38 9.51 -15.09 0 4 0 49 287.75 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-2-indol-1-yl-acetamide N-(cyanomethyl)-N-cyclopropyl-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) 1.73 9 -16.03 0 4 0 49 253.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-2-(2-methylindol-1-yl)acetamide N-(cyanomethyl)-N-cyclopropyl-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) 1.95 9.47 -16.53 0 4 0 49 267.332 4 ↓

Parameters Provided:

ring.id = 63181
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 = 63181 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=63181&filter.purchasability=annotated

Embed Link to Results