UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(5R)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-[4-(4-methoxyphenyl)thiazol-2-yl]ace 2-[(5R)-2-(N'-cyclododecylideneh…

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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) 6.42 11.85 -47.22 1 8 -1 107 540.735 7 ↓
Lo Low (pH 4.5-6) 6.42 11.93 -19.01 2 8 0 105 541.743 7 ↓

Analogs

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Popular Name: 2-[(5S)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-[4-(4-methoxyphenyl)thiazol-2-yl]ace 2-[(5S)-2-(N'-cyclododecylideneh…

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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) 6.42 11.85 -47.57 1 8 -1 107 540.735 7 ↓
Lo Low (pH 4.5-6) 6.42 11.93 -19.31 2 8 0 105 541.743 7 ↓

Analogs

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Popular Name: 2-[(5R)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-[4-(4-nitrophenyl)thiazol-2-yl]aceta 2-[(5R)-2-(N'-cyclododecylideneh…

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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) 6.32 13.27 -47.49 1 10 -1 144 555.706 7 ↓
Lo Low (pH 4.5-6) 6.32 13.35 -20.95 2 10 0 142 556.714 7 ↓

Analogs

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Popular Name: 2-[(5S)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-[4-(4-nitrophenyl)thiazol-2-yl]aceta 2-[(5S)-2-(N'-cyclododecylideneh…

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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) 6.32 13.27 -47.87 1 10 -1 144 555.706 7 ↓
Lo Low (pH 4.5-6) 6.32 13.35 -21.17 2 10 0 142 556.714 7 ↓

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-[(5S)-2-[(N'E)-N'-[(2R)-2-methylcyclododecylidene]hydrazino]-4 N-[4-(4-methoxyphenyl)thiazol-2-…

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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) 6.66 12.39 -47.62 1 8 -1 107 554.762 7 ↓
Lo Low (pH 4.5-6) 6.66 12.47 -19.1 2 8 0 105 555.77 7 ↓

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-[(5S)-2-[(N'E)-N'-[(2S)-2-methylcyclododecylidene]hydrazino]-4 N-[4-(4-methoxyphenyl)thiazol-2-…

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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) 6.66 12.31 -47.66 1 8 -1 107 554.762 7 ↓
Lo Low (pH 4.5-6) 6.66 12.3 -19.09 2 8 0 105 555.77 7 ↓

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-[(5R)-2-[(N'E)-N'-[(2R)-2-methylcyclododecylidene]hydrazino]-4 N-[4-(4-methoxyphenyl)thiazol-2-…

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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) 6.66 12.39 -47.25 1 8 -1 107 554.762 7 ↓
Lo Low (pH 4.5-6) 6.66 12.47 -18.77 2 8 0 105 555.77 7 ↓

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-[(5R)-2-[(N'E)-N'-[(2S)-2-methylcyclododecylidene]hydrazino]-4 N-[4-(4-methoxyphenyl)thiazol-2-…

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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) 6.66 12.31 -47.4 1 8 -1 107 554.762 7 ↓
Lo Low (pH 4.5-6) 6.66 12.29 -18.91 2 8 0 105 555.77 7 ↓

Analogs

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Popular Name: 2-[(5S)-2-[(N'E)-N'-[(2R)-2-methylcyclododecylidene]hydrazino]-4-oxo-thiazol-5-yl]-N-[4-(4-nitrophen 2-[(5S)-2-[(N'E)-N'-[(2R)-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) 6.57 13.81 -47.86 1 10 -1 144 569.733 7 ↓
Lo Low (pH 4.5-6) 6.57 13.89 -20.93 2 10 0 142 570.741 7 ↓

Analogs

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Popular Name: 2-[(5S)-2-[(N'E)-N'-[(2S)-2-methylcyclododecylidene]hydrazino]-4-oxo-thiazol-5-yl]-N-[4-(4-nitrophen 2-[(5S)-2-[(N'E)-N'-[(2S)-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) 6.57 13.72 -47.97 1 10 -1 144 569.733 7 ↓
Lo Low (pH 4.5-6) 6.57 13.71 -21.05 2 10 0 142 570.741 7 ↓

Analogs

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Popular Name: 2-[(5R)-2-[(N'E)-N'-[(2R)-2-methylcyclododecylidene]hydrazino]-4-oxo-thiazol-5-yl]-N-[4-(4-nitrophen 2-[(5R)-2-[(N'E)-N'-[(2R)-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) 6.57 13.8 -47.54 1 10 -1 144 569.733 7 ↓
Lo Low (pH 4.5-6) 6.57 13.88 -20.68 2 10 0 142 570.741 7 ↓

Analogs

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Popular Name: 2-[(5R)-2-[(N'E)-N'-[(2S)-2-methylcyclododecylidene]hydrazino]-4-oxo-thiazol-5-yl]-N-[4-(4-nitrophen 2-[(5R)-2-[(N'E)-N'-[(2S)-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) 6.57 13.72 -47.64 1 10 -1 144 569.733 7 ↓
Lo Low (pH 4.5-6) 6.57 13.71 -20.77 2 10 0 142 570.741 7 ↓

Parameters Provided:

ring.id = 196548
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 = 196548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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