UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(2-chloroacetyl)amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide 5-[(2-chloroacetyl)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) 2.70 -2.55 -16.82 2 5 0 61 383.879 5 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-propionamido-benzamide N-cyclopropyl-2-(3,4-dihydro-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) 2.98 -2.19 -14.81 2 5 0 61 363.461 5 ↓

Analogs

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Popular Name: 5-butyramido-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide 5-butyramido-N-cyclopropyl-2-(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) 3.53 -2.04 -14.57 2 5 0 61 377.488 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pivaloylamino)benzamide N-cyclopropyl-2-(3,4-dihydro-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) 3.80 -1.35 -13.95 2 5 0 61 391.515 5 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(isobutyrylamino)benzamide N-cyclopropyl-2-(3,4-dihydro-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) 3.22 -1.82 -13.72 2 5 0 61 377.488 5 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)benzamide N-cyclopropyl-2-(3,4-dihydro-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) 4.07 -1.29 -13.38 2 5 0 61 405.542 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(isovalerylamino)benzamide N-cyclopropyl-2-(3,4-dihydro-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) 3.75 -1.7 -14.08 2 5 0 61 391.515 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(dimethylcarbamoylamino)benzamide N-cyclopropyl-2-(3,4-dihydro-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) 2.28 -2.56 -14.85 2 6 0 64 378.476 4 ↓

Analogs

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Popular Name: 5-[[(2S)-2-chloropropanoyl]amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide 5-[[(2S)-2-chloropropanoyl]amino…

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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) 3.06 -2.41 -14.78 2 5 0 61 397.906 5 ↓

Analogs

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Popular Name: 5-[[(2R)-2-chloropropanoyl]amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide 5-[[(2R)-2-chloropropanoyl]amino…

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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) 3.06 -2.41 -14.48 2 5 0 61 397.906 5 ↓

Parameters Provided:

ring.id = 956
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 = 956 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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