UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(dimethylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[(1S)-1-phenylethyl]benzamide 5-(dimethylcarbamoylamino)-2-[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) 4.08 12.63 -15.47 2 8 0 77 501.631 7 ↓

Analogs

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Popular Name: 5-(dimethylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[(1R)-1-phenylethyl]benzamide 5-(dimethylcarbamoylamino)-2-[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) 4.08 12.63 -15.68 2 8 0 77 501.631 7 ↓

Analogs

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Popular Name: 5-[[(2R)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[(1S)-1-phenylethyl]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) 4.86 13.07 -14.8 2 7 0 74 521.061 8 ↓

Analogs

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Popular Name: 5-[[(2R)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[(1R)-1-phenylethyl]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) 4.86 13.07 -14.95 2 7 0 74 521.061 8 ↓

Analogs

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Popular Name: 5-[[(2S)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[(1S)-1-phenylethyl]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) 4.86 13.07 -15.1 2 7 0 74 521.061 8 ↓

Analogs

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Popular Name: 5-[[(2S)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[(1R)-1-phenylethyl]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) 4.86 13.06 -14.94 2 7 0 74 521.061 8 ↓

Analogs

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Popular Name: N-benzyl-2-[4-(2-methoxyphenyl)piperazino]-5-propionamido-benzamide N-benzyl-2-[4-(2-methoxyphenyl)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) 4.21 11.76 -14.31 2 7 0 74 472.589 8 ↓

Analogs

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Popular Name: N-benzyl-5-butyramido-2-[4-(2-methoxyphenyl)piperazino]benzamide N-benzyl-5-butyramido-2-[4-(2-me…

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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) 4.77 10.16 -18.4 2 7 0 74 486.616 9 ↓

Analogs

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Popular Name: N-benzyl-2-[4-(2-methoxyphenyl)piperazino]-5-(pivaloylamino)benzamide N-benzyl-2-[4-(2-methoxyphenyl)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) 5.04 -2.61 -14.57 2 7 0 73 500.643 8 ↓

Analogs

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Popular Name: N-benzyl-5-(3,3-dimethylbutanoylamino)-2-[4-(2-methoxyphenyl)piperazino]benzamide N-benzyl-5-(3,3-dimethylbutanoyl…

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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) 5.31 11.28 -17.07 2 7 0 74 514.67 9 ↓

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]-5-(propanoylamino)benzamide 2-[4-(2-methoxyphenyl)piperazin-…

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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) 4.77 12.6 -15.1 2 7 0 74 486.616 8 ↓

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]-5-(propanoylamino)benzamide 2-[4-(2-methoxyphenyl)piperazin-…

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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) 4.77 12.59 -14.9 2 7 0 74 486.616 8 ↓

Parameters Provided:

ring.id = 566
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 = 566 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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