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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-5-[(4-fluorobenzoyl)amino]-2-pyrrolidino-benzamide N-cyclopropyl-5-[(4-fluorobenzoy…

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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) 2.98 -1.65 -14.08 2 5 0 61 367.424 5 ↓

Analogs

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Popular Name: N-cyclopropyl-5-(p-anisoylamino)-2-pyrrolidino-benzamide N-cyclopropyl-5-(p-anisoylamino)…

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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) 2.88 -2.35 -15.13 2 6 0 70 379.46 6 ↓

Analogs

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

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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) 3.45 -2.5 -15.8 2 5 0 61 383.879 5 ↓

Analogs

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Popular Name: N-cyclopropyl-5-[(2,4-dichlorobenzoyl)amino]-2-pyrrolidino-benzamide N-cyclopropyl-5-[(2,4-dichlorobe…

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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) 4.10 -2.65 -14.88 2 5 0 61 418.324 5 ↓

Analogs

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Popular Name: 5-[(4-chlorobenzoyl)amino]-N-cyclopropyl-2-pyrrolidino-benzamide 5-[(4-chlorobenzoyl)amino]-N-cyc…

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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 -2.53 -13.61 2 5 0 61 383.879 5 ↓

Analogs

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

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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) 2.75 -1.86 -22.08 2 8 0 107 394.431 6 ↓

Analogs

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Popular Name: N-cyclopropyl-5-(p-toluoylamino)-2-pyrrolidino-benzamide N-cyclopropyl-5-(p-toluoylamino)…

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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 -2.06 -13.94 2 5 0 61 363.461 5 ↓

Analogs

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Popular Name: N-cyclopropyl-5-(o-toluoylamino)-2-pyrrolidino-benzamide N-cyclopropyl-5-(o-toluoylamino)…

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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) 3.22 -2.1 -13 2 5 0 61 363.461 5 ↓

Analogs

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Popular Name: 3,4-dichloro-N-[3-(cyclopropylcarbamoyl)-4-pyrrolidino-phenyl]benzamide 3,4-dichloro-N-[3-(cyclopropylca…

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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) 4.10 -2.66 -15.28 2 5 0 61 418.324 5 ↓

Analogs

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

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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) 2.96 -1.63 -12.56 2 5 0 61 367.424 5 ↓

Analogs

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Popular Name: N-cyclopropyl-2-pyrrolidino-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide N-cyclopropyl-2-pyrrolidino-5-[[…

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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) 3.69 -0.21 -16.78 2 5 0 61 417.431 6 ↓

Analogs

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

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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) 3.61 9.95 -10.73 2 5 0 61 428.33 5 ↓

Analogs

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Popular Name: 5-[(4-bromobenzoyl)amino]-N-cyclopropyl-2-pyrrolidino-benzamide 5-[(4-bromobenzoyl)amino]-N-cycl…

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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) 3.63 -3.14 -13.55 2 5 0 61 428.33 5 ↓

Parameters Provided:

ring.id = 581
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 = 581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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