UCSF
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Analogs

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Popular Name: 1-methyl-N-(m-tolylmethyl)pyrrolo[2,3-c]pyridine-2-carboxamide 1-methyl-N-(m-tolylmethyl)pyrrol…

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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) 2.39 7.51 -37.05 2 4 1 48 280.351 3 ↓
Mid Mid (pH 6-8) 2.39 7.06 -8.5 1 4 0 47 279.343 3 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(3-fluorophenyl)methyl]-1-met…

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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) 2.10 6.94 -38.38 2 4 1 48 284.314 3 ↓
Mid Mid (pH 6-8) 2.10 6.48 -9.69 1 4 0 47 283.306 3 ↓

Analogs

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Popular Name: N-benzyl-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-benzyl-1-methyl-pyrrolo[2,3-c]…

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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) 1.96 6.87 -36.89 2 4 1 48 266.324 3 ↓
Mid Mid (pH 6-8) 1.96 6.41 -8.49 1 4 0 47 265.316 3 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(4-chlorophenyl)methyl]-1-met…

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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) 2.64 7.4 -37.79 2 4 1 48 300.769 3 ↓
Mid Mid (pH 6-8) 2.64 6.93 -8.86 1 4 0 47 299.761 3 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(4-fluorophenyl)methyl]-1-met…

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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) 2.13 6.94 -38.37 2 4 1 48 284.314 3 ↓
Mid Mid (pH 6-8) 2.13 6.48 -9.4 1 4 0 47 283.306 3 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(2-fluorophenyl)methyl]-1-met…

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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) 2.08 6.9 -37.93 2 4 1 48 284.314 3 ↓
Mid Mid (pH 6-8) 2.08 6.43 -9.96 1 4 0 47 283.306 3 ↓

Analogs

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Popular Name: 1-methyl-N-(o-tolylmethyl)pyrrolo[2,3-c]pyridine-2-carboxamide 1-methyl-N-(o-tolylmethyl)pyrrol…

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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) 2.36 7.64 -37 2 4 1 48 280.351 3 ↓
Mid Mid (pH 6-8) 2.36 7.18 -8.36 1 4 0 47 279.343 3 ↓

Analogs

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Popular Name: 1-methyl-N-(p-tolylmethyl)pyrrolo[2,3-c]pyridine-2-carboxamide 1-methyl-N-(p-tolylmethyl)pyrrol…

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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) 2.41 7.52 -37.06 2 4 1 48 280.351 3 ↓
Mid Mid (pH 6-8) 2.41 7.07 -8.52 1 4 0 47 279.343 3 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(3-chlorophenyl)methyl]-1-met…

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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) 2.62 7.39 -37.69 2 4 1 48 300.769 3 ↓
Mid Mid (pH 6-8) 2.62 6.92 -9.07 1 4 0 47 299.761 3 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(2-chlorophenyl)methyl]-1-met…

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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) 2.59 7.29 -37.13 2 4 1 48 300.769 3 ↓
Mid Mid (pH 6-8) 2.59 6.82 -9.18 1 4 0 47 299.761 3 ↓

Parameters Provided:

ring.id = 367562
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 = 367562 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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