UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37841272
37841272
37842158
37842158
37842159
37842159
37842174
37842174

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Popular Name: N-methyl-N-(4-pyridylmethyl)-1H-indole-3-carboxamide N-methyl-N-(4-pyridylmethyl)-1H-…

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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) 1.16 6.67 -16.98 1 4 0 49 265.316 3 ↓
Lo Low (pH 4.5-6) 1.16 7.13 -40.75 2 4 1 50 266.324 3 ↓

Analogs

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Popular Name: 5-amino-N-(4-pyridylmethyl)-1H-indole-3-carboxamide 5-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) 0.44 2.7 -15.84 4 5 0 84 266.304 3 ↓
Lo Low (pH 4.5-6) 0.44 3.16 -49.28 5 5 1 85 267.312 3 ↓

Analogs

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Popular Name: 5-amino-N-[(1S)-1-(4-pyridyl)ethyl]-1H-indole-3-carboxamide 5-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) 1.00 3.55 -17.05 4 5 0 84 280.331 3 ↓
Lo Low (pH 4.5-6) 1.00 4.01 -50.65 5 5 1 85 281.339 3 ↓

Analogs

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Popular Name: 5-amino-N-[(1R)-1-(4-pyridyl)ethyl]-1H-indole-3-carboxamide 5-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) 1.00 3.55 -17.02 4 5 0 84 280.331 3 ↓
Lo Low (pH 4.5-6) 1.00 4.01 -50.62 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-3-carboxamide 5-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) 0.22 4.53 -17.96 3 5 0 75 280.331 3 ↓
Lo Low (pH 4.5-6) 0.22 4.99 -41.35 4 5 1 76 281.339 3 ↓

Analogs

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Popular Name: 1-ethyl-5-methoxy-2-methyl-N-(4-pyridylmethyl)indole-3-carboxamide 1-ethyl-5-methoxy-2-methyl-N-(4-…

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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) 2.09 7.12 -14.3 1 5 0 56 323.396 5 ↓
Lo Low (pH 4.5-6) 2.09 7.58 -44.33 2 5 1 57 324.404 5 ↓

Analogs

35207542
35207542
35134612
35134612
35134587
35134587
35134739
35134739
36164423
36164423

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Popular Name: N-methyl-N-[(1S)-1-(4-pyridyl)ethyl]-1H-indole-3-carboxamide N-methyl-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) 1.72 7.17 -17.47 1 4 0 49 279.343 3 ↓
Lo Low (pH 4.5-6) 1.72 7.62 -38.04 2 4 1 50 280.351 3 ↓

Analogs

35207542
35207542
35134612
35134612
35134587
35134587
35134739
35134739
36164423
36164423

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R)-1-(4-pyridyl)ethyl]-1H-indole-3-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) 1.72 6.87 -16.3 1 4 0 49 279.343 3 ↓
Lo Low (pH 4.5-6) 1.72 7.32 -46.86 2 4 1 50 280.351 3 ↓

Parameters Provided:

ring.id = 81286
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 = 81286 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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