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Popular Name: 5-benzamido-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-benzamido-N-(3-pyridylmethyl)-…

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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 8.51 -14.6 2 6 0 74 400.482 6 ↓

Analogs

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Popular Name: 5-(p-anisoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-(p-anisoylamino)-N-(3-pyridylm…

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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) 2.67 8.99 -14.28 2 7 0 84 430.508 7 ↓

Analogs

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Popular Name: 5-(o-toluoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-(o-toluoylamino)-N-(3-pyridylm…

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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) 3.02 -2.5 -13.62 2 6 0 74 414.509 6 ↓
Lo Low (pH 4.5-6) 3.02 -2.39 -48.6 3 6 1 75 415.517 6 ↓

Analogs

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Popular Name: 5-[(2-fluorobenzoyl)amino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-[(2-fluorobenzoyl)amino]-N-(3-…

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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) 2.73 -2.08 -18.41 2 6 0 74 418.472 6 ↓
Lo Low (pH 4.5-6) 2.73 -1.97 -54.8 3 6 1 75 419.48 6 ↓

Analogs

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Popular Name: 5-[(4-tert-butylbenzoyl)amino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-[(4-tert-butylbenzoyl)amino]-N…

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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) 4.32 10.8 -17.03 2 6 0 74 456.59 7 ↓
Lo Low (pH 4.5-6) 4.32 11.23 -56.09 3 6 1 76 457.598 7 ↓

Analogs

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Popular Name: 3,5-dimethoxy-N-[3-(3-pyridylmethylcarbamoyl)-4-pyrrolidino-phenyl]benzamide 3,5-dimethoxy-N-[3-(3-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) 2.66 7.11 -18.73 2 8 0 93 460.534 8 ↓
Lo Low (pH 4.5-6) 2.66 7.55 -56.72 3 8 1 94 461.542 8 ↓

Analogs

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Popular Name: 5-[(3-bromobenzoyl)amino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-[(3-bromobenzoyl)amino]-N-(3-p…

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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) 3.40 9.09 -15.6 2 6 0 74 479.378 6 ↓
Lo Low (pH 4.5-6) 3.40 9.53 -52.99 3 6 1 76 480.386 6 ↓

Analogs

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Popular Name: 4-methyl-3-nitro-N-[3-(3-pyridylmethylcarbamoyl)-4-pyrrolidino-phenyl]benzamide 4-methyl-3-nitro-N-[3-(3-pyridyl…

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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) 2.95 -2.05 -22.04 2 9 0 120 459.506 7 ↓
Lo Low (pH 4.5-6) 2.95 -1.93 -61.23 3 9 1 121 460.514 7 ↓

Analogs

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Popular Name: 5-(m-anisoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-(m-anisoylamino)-N-(3-pyridylm…

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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) 2.65 7.78 -20.54 2 7 0 84 430.508 7 ↓
Lo Low (pH 4.5-6) 2.65 8.22 -60.05 3 7 1 85 431.516 7 ↓

Analogs

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Popular Name: 5-(o-anisoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-(o-anisoylamino)-N-(3-pyridylm…

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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) 3.17 8.93 -20.49 2 7 0 84 430.508 7 ↓
Lo Low (pH 4.5-6) 3.17 9.37 -58.97 3 7 1 85 431.516 7 ↓

Analogs

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Popular Name: 5-[(3-chlorobenzoyl)amino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-[(3-chlorobenzoyl)amino]-N-(3-…

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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) 3.27 -2.9 -13.04 2 6 0 74 434.927 6 ↓

Analogs

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Popular Name: 5-[(3,5-dichlorobenzoyl)amino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide 5-[(3,5-dichlorobenzoyl)amino]-N…

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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) 3.90 9.49 -16.09 2 6 0 74 469.372 6 ↓
Lo Low (pH 4.5-6) 3.90 9.93 -54.96 3 6 1 76 470.38 6 ↓

Parameters Provided:

ring.id = 599
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 = 599 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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