UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazino]-5-propionamido-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 2-[4-(2-methoxyphenyl)piperazino…

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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) 3.19 6.67 -19.64 2 8 0 83 466.582 8 ↓

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazino]-5-propionamido-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 2-[4-(2-methoxyphenyl)piperazino…

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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) 3.19 6.65 -19.92 2 8 0 83 466.582 8 ↓

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazino]-5-(pivaloylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 2-[4-(2-methoxyphenyl)piperazino…

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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) 4.01 10.29 -14.01 2 8 0 83 494.636 8 ↓

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazino]-5-(pivaloylamino)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 2-[4-(2-methoxyphenyl)piperazino…

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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) 4.01 10.26 -14.47 2 8 0 83 494.636 8 ↓

Analogs

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Popular Name: 5-(isobutyrylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(isobutyrylamino)-2-[4-(2-meth…

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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) 3.43 9.73 -14.29 2 8 0 83 480.609 8 ↓

Analogs

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Popular Name: 5-(isobutyrylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(isobutyrylamino)-2-[4-(2-meth…

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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) 3.43 9.7 -14.68 2 8 0 83 480.609 8 ↓

Analogs

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Popular Name: 5-(dimethylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]be 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) 2.50 6.76 -19.72 2 9 0 86 481.597 7 ↓

Analogs

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Popular Name: 5-(dimethylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]be 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) 2.50 6.72 -20.03 2 9 0 86 481.597 7 ↓

Analogs

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Popular Name: 5-[(2-methoxyacetyl)amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]be 5-[(2-methoxyacetyl)amino]-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) 2.30 -5.27 -19.03 2 9 0 92 482.581 9 ↓

Analogs

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Popular Name: 5-[(2-methoxyacetyl)amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]be 5-[(2-methoxyacetyl)amino]-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) 2.30 -5.3 -19.21 2 9 0 92 482.581 9 ↓

Analogs

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Popular Name: 5-[[(2S)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2R)-tetrahydrofuran-2-yl]me 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) 3.28 9.54 -14.64 2 8 0 83 501.027 8 ↓

Analogs

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Popular Name: 5-[[(2R)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2R)-tetrahydrofuran-2-yl]me 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) 3.28 9.54 -14.62 2 8 0 83 501.027 8 ↓

Analogs

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Popular Name: 5-[[(2S)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2S)-tetrahydrofuran-2-yl]me 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) 3.28 9.51 -14.93 2 8 0 83 501.027 8 ↓

Analogs

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Popular Name: 5-[[(2R)-2-chloropropanoyl]amino]-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2S)-tetrahydrofuran-2-yl]me 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) 3.28 9.51 -15.12 2 8 0 83 501.027 8 ↓

Parameters Provided:

ring.id = 625
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 = 625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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