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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12536786
12536786

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-[(1R)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide 5-fluoro-N-[(1R)-1-(4-pyridyl)et…

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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) 1.43 5.7 -10.92 2 4 0 58 283.306 3 ↓
Lo Low (pH 4.5-6) 1.43 5.98 -46.29 3 4 1 59 284.314 3 ↓

Analogs

12536785
12536785

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-[(1S)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide 5-fluoro-N-[(1S)-1-(4-pyridyl)et…

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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) 1.43 5.7 -10.88 2 4 0 58 283.306 3 ↓
Lo Low (pH 4.5-6) 1.43 5.98 -46.27 3 4 1 59 284.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-(4-pyridylmethyl)-1H-indole-2-carboxamide 7-amino-N-(4-pyridylmethyl)-1H-i…

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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 2.69 -10.22 4 5 0 84 266.304 3 ↓
Lo Low (pH 4.5-6) 1.14 3.15 -45.02 5 5 1 85 267.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1S)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide 7-amino-N-[(1S)-1-(4-pyridyl)eth…

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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) 1.70 3.53 -11.01 4 5 0 84 280.331 3 ↓
Lo Low (pH 4.5-6) 1.70 3.99 -45.85 5 5 1 85 281.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1R)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide 7-amino-N-[(1R)-1-(4-pyridyl)eth…

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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) 1.70 3.53 -11.01 4 5 0 84 280.331 3 ↓
Lo Low (pH 4.5-6) 1.70 3.99 -45.81 5 5 1 85 281.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-methyl-N-(4-pyridylmethyl)-1H-indole-2-carboxamide 7-amino-N-methyl-N-(4-pyridylmet…

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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) 1.38 5.04 -13.26 3 5 0 75 280.331 3 ↓
Lo Low (pH 4.5-6) 1.38 5.5 -41.01 4 5 1 76 281.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide 5-amino-N-[(1S)-1-(4-pyridyl)eth…

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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) 1.31 3.5 -11.3 4 5 0 84 280.331 3 ↓
Lo Low (pH 4.5-6) 1.31 3.96 -45.51 5 5 1 85 281.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide 5-amino-N-[(1R)-1-(4-pyridyl)eth…

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) 1.31 3.5 -11.29 4 5 0 84 280.331 3 ↓
Lo Low (pH 4.5-6) 1.31 3.96 -45.53 5 5 1 85 281.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-(4-pyridylmethyl)-1H-indole-2-carboxamide 5-amino-N-methyl-N-(4-pyridylmet…

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 5.03 -13.52 3 5 0 75 280.331 3 ↓
Lo Low (pH 4.5-6) 1.00 5.49 -40.75 4 5 1 76 281.339 3 ↓

Analogs

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Popular Name: 5-methoxy-N-[(1R)-1-methylpropyl]-N-(4-pyridylmethyl)-1H-indole-2-carboxamide 5-methoxy-N-[(1R)-1-methylpropyl…

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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) 3.19 9.18 -11.07 1 5 0 58 337.423 6 ↓
Lo Low (pH 4.5-6) 3.19 9.64 -49.84 2 5 1 59 338.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-N-[(1S)-1-methylpropyl]-N-(4-pyridylmethyl)-1H-indole-2-carboxamide 5-methoxy-N-[(1S)-1-methylpropyl…

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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) 3.19 8.93 -10.82 1 5 0 58 337.423 6 ↓
Lo Low (pH 4.5-6) 3.19 9.39 -50.36 2 5 1 59 338.431 6 ↓

Analogs

59855552
59855552
7909010
7909010

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide N-methyl-N-[(1S)-1-(4-pyridyl)et…

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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) 2.51 8.2 -11.57 1 4 0 49 279.343 3 ↓
Lo Low (pH 4.5-6) 2.51 8.66 -43.89 2 4 1 50 280.351 3 ↓

Analogs

59855552
59855552
7909010
7909010

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R)-1-(4-pyridyl)ethyl]-1H-indole-2-carboxamide N-methyl-N-[(1R)-1-(4-pyridyl)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) 2.51 7.38 -11.84 1 4 0 49 279.343 3 ↓
Lo Low (pH 4.5-6) 2.51 7.84 -43.18 2 4 1 50 280.351 3 ↓

Parameters Provided:

ring.id = 103705
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 = 103705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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