UCSF
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Analogs

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Popular Name: (NZ,2S)-2-ethoxy-N-[3-(p-tolylmethyl)thiazol-2-ylidene]propanamide (NZ,2S)-2-ethoxy-N-[3-(p-tolylme…

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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) 3.93 8.24 -14.69 0 4 0 44 304.415 5 ↓

Analogs

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Popular Name: (NZ,2R)-2-ethoxy-N-[3-(p-tolylmethyl)thiazol-2-ylidene]propanamide (NZ,2R)-2-ethoxy-N-[3-(p-tolylme…

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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) 3.93 8.19 -15.79 0 4 0 44 304.415 5 ↓

Analogs

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Popular Name: 2-acetamido-N-[2-[(Z)-[3-[(2-fluorophenyl)methyl]thiazol-2-ylidene]amino]-2-oxo-ethyl]acetamide 2-acetamido-N-[2-[(Z)-[3-[(2-flu…

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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) 1.63 3.34 -13.27 2 7 0 93 364.402 6 ↓

Analogs

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Popular Name: 2-acetamido-N-[2-[(Z)-[3-[(2-chlorophenyl)methyl]thiazol-2-ylidene]amino]-2-oxo-ethyl]acetamide 2-acetamido-N-[2-[(Z)-[3-[(2-chl…

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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) 2.14 3.56 -12.61 2 7 0 93 380.857 6 ↓

Analogs

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Popular Name: [2-oxo-2-[[3-(p-tolylmethyl)thiazol-2-ylidene]amino]ethyl] [2-oxo-2-[[3-(p-tolylmethyl)thia…

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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) 3.64 9.63 -15.02 0 5 0 61 318.398 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.40 4.38 -13.16 1 6 0 73 305.359 5 ↓

Analogs

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Popular Name: (NZ,2S)-N-(3-benzylthiazol-2-ylidene)-2-methylsulfonyl-propanamide (NZ,2S)-N-(3-benzylthiazol-2-yli…

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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) 2.52 5.11 -25.17 0 5 0 69 324.427 4 ↓

Analogs

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Popular Name: (NZ,2R)-N-(3-benzylthiazol-2-ylidene)-2-methylsulfonyl-propanamide (NZ,2R)-N-(3-benzylthiazol-2-yli…

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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) 2.52 5.33 -25.32 0 5 0 69 324.427 4 ↓

Analogs

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Popular Name: (NZ,2S)-N-[3-[(2-fluorophenyl)methyl]thiazol-2-ylidene]-2-methylsulfonyl-propanamide (NZ,2S)-N-[3-[(2-fluorophenyl)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) 2.64 4.98 -23 0 5 0 69 342.417 4 ↓

Analogs

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Popular Name: (NZ,2R)-N-[3-[(2-fluorophenyl)methyl]thiazol-2-ylidene]-2-methylsulfonyl-propanamide (NZ,2R)-N-[3-[(2-fluorophenyl)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) 2.64 5.2 -22.63 0 5 0 69 342.417 4 ↓

Analogs

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Popular Name: (NE,2S)-N-[3-[(2-fluorophenyl)methyl]thiazol-2-ylidene]-2-methoxy-propanamide (NE,2S)-N-[3-[(2-fluorophenyl)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) 3.22 6.42 -18.82 0 4 0 44 294.351 4 ↓

Analogs

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Popular Name: (NE,2R)-N-[3-[(2-fluorophenyl)methyl]thiazol-2-ylidene]-2-methoxy-propanamide (NE,2R)-N-[3-[(2-fluorophenyl)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) 3.22 6.36 -12.14 0 4 0 44 294.351 4 ↓

Parameters Provided:

ring.id = 180410
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 = 180410 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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