UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-thiomorpholino-methanone [5-(3-hydroxyprop-1-ynyl)-2-thie…

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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) 1.47 4.26 -10.09 1 3 0 41 267.375 1 ↓

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-thiomorpholino-methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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) 1.74 5.04 -8.24 1 3 0 41 281.402 2 ↓

Analogs

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Popular Name: (5-chloro-2-thienyl)-thiomorpholino-methanone (5-chloro-2-thienyl)-thiomorphol…

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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) 2.46 5.89 -5.85 0 2 0 20 247.772 1 ↓

Analogs

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Popular Name: (4-amino-5-methyl-2-thienyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-amino-5-methyl-2-thienyl)-[(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) 1.62 4.52 -6.35 2 3 0 46 256.396 1 ↓
Lo Low (pH 4.5-6) 1.62 4.33 -45.33 3 3 1 48 257.404 1 ↓

Analogs

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Popular Name: (4-amino-5-methyl-2-thienyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-amino-5-methyl-2-thienyl)-[(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) 1.62 4.55 -6.26 2 3 0 46 256.396 1 ↓
Lo Low (pH 4.5-6) 1.62 4.34 -45.52 3 3 1 48 257.404 1 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (3-amino-2-thienyl)-[(3R)-3-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) 1.40 3.84 -6.54 2 3 0 46 242.369 1 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (3-amino-2-thienyl)-[(3S)-3-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) 1.40 3.81 -6.57 2 3 0 46 242.369 1 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methanone (3-amino-2-thienyl)-[(2S,6R)-2,6…

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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) 1.80 4.56 -7.7 2 3 0 46 256.396 1 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methanone (3-amino-2-thienyl)-[(2S,6S)-2,6…

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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) 1.80 4.91 -7.21 2 3 0 46 256.396 1 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methanone (3-amino-2-thienyl)-[(2R,6R)-2,6…

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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) 1.80 4.87 -7.32 2 3 0 46 256.396 1 ↓

Analogs

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Popular Name: N-[2-[5-(thiomorpholine-4-carbonyl)-2-thienyl]ethyl]methanesulfonamide N-[2-[5-(thiomorpholine-4-carbon…

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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) 1.24 3.01 -17.52 1 5 0 66 334.488 5 ↓

Parameters Provided:

ring.id = 8122
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 = 8122 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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