UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6586383
6586383
6587771
6587771

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Popular Name: 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1R)-1-methylhexyl]acetamide 2-[(4S)-4-(1H-indol-3-ylmethyl)-…

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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) 3.50 7.55 -15.75 3 7 0 94 384.48 9 ↓

Analogs

6586383
6586383
6587771
6587771

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1S)-1-methylhexyl]acetamide 2-[(4S)-4-(1H-indol-3-ylmethyl)-…

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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) 3.50 7.55 -15.77 3 7 0 94 384.48 9 ↓

Analogs

6586383
6586383
6587771
6587771

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1R)-1-methylhexyl]acetamide 2-[(4R)-4-(1H-indol-3-ylmethyl)-…

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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) 3.50 7.53 -14.93 3 7 0 94 384.48 9 ↓

Analogs

6586383
6586383
6587771
6587771

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1S)-1-methylhexyl]acetamide 2-[(4R)-4-(1H-indol-3-ylmethyl)-…

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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) 3.50 7.53 -14.9 3 7 0 94 384.48 9 ↓

Analogs

6376379
6376379

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Popular Name: 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-isopropyl-N-methyl-acetamide 2-[(4S)-4-(1H-indol-3-ylmethyl)-…

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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) 1.14 6.03 -16.46 2 7 0 86 342.399 5 ↓

Analogs

6376379
6376379

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-isopropyl-N-methyl-acetamide 2-[(4R)-4-(1H-indol-3-ylmethyl)-…

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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) 1.14 6 -15.56 2 7 0 86 342.399 5 ↓

Analogs

6586383
6586383
6587771
6587771

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1R)-1-methylheptyl]acetamide 2-[(4S)-4-(1H-indol-3-ylmethyl)-…

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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) 4.01 8.33 -15.76 3 7 0 94 398.507 10 ↓

Analogs

6586383
6586383
6587771
6587771

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1S)-1-methylheptyl]acetamide 2-[(4S)-4-(1H-indol-3-ylmethyl)-…

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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) 4.01 8.33 -15.82 3 7 0 94 398.507 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1R)-1-methylheptyl]acetamide 2-[(4R)-4-(1H-indol-3-ylmethyl)-…

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) 4.01 8.31 -14.92 3 7 0 94 398.507 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1S)-1-methylheptyl]acetamide 2-[(4R)-4-(1H-indol-3-ylmethyl)-…

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) 4.01 8.31 -15.01 3 7 0 94 398.507 10 ↓

Analogs

3543170
3543170
3543171
3543171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1R)-1-methylbutyl]acetamide 2-[(4S)-4-(1H-indol-3-ylmethyl)-…

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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) 2.49 5.99 -15.77 3 7 0 94 356.426 7 ↓

Analogs

3543170
3543170
3543171
3543171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1S)-1-methylbutyl]acetamide 2-[(4S)-4-(1H-indol-3-ylmethyl)-…

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) 2.49 5.99 -15.81 3 7 0 94 356.426 7 ↓

Analogs

3543170
3543170
3543171
3543171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1R)-1-methylbutyl]acetamide 2-[(4R)-4-(1H-indol-3-ylmethyl)-…

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) 2.49 5.97 -14.94 3 7 0 94 356.426 7 ↓

Analogs

3543170
3543170
3543171
3543171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[(1S)-1-methylbutyl]acetamide 2-[(4R)-4-(1H-indol-3-ylmethyl)-…

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) 2.49 5.97 -14.95 3 7 0 94 356.426 7 ↓

Parameters Provided:

ring.id = 210922
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 = 210922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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