UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2,2-dimethylpropyl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea 1-(2,2-dimethylpropyl)-3-[4-(thi…

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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) 2.49 7.18 -11.73 2 5 0 61 341.521 4 ↓

Analogs

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Popular Name: N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]ethanesulfonamide N-[4-(thiomorpholine-4-carbonyl)…

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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) 0.89 3.69 -18.07 1 5 0 66 320.48 4 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-1-methyl-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea 1-(2-methoxyethyl)-1-methyl-3-[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) 1.57 6.83 -14.76 1 6 0 62 343.493 5 ↓

Analogs

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Popular Name: (1-aminocyclohexyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (1-aminocyclohexyl)-[(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) 1.77 4.24 -49.9 3 3 1 48 243.396 1 ↓
Mid Mid (pH 6-8) 1.77 4.41 -6.78 2 3 0 46 242.388 1 ↓

Analogs

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Popular Name: (1-aminocyclohexyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (1-aminocyclohexyl)-[(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) 1.77 4.19 -49.46 3 3 1 48 243.396 1 ↓
Mid Mid (pH 6-8) 1.77 3.93 -4.59 2 3 0 46 242.388 1 ↓

Analogs

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Popular Name: (4-aminocyclohexyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-aminocyclohexyl)-[(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) 0.56 4.3 -43.09 3 3 1 48 243.396 1 ↓

Analogs

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Popular Name: (4-aminocyclohexyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-aminocyclohexyl)-[(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) 0.56 4.44 -51.76 3 3 1 48 243.396 1 ↓

Analogs

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Popular Name: [(1R,3S)-3-aminocyclohexyl]-[(3R)-3-methylthiomorpholin-4-yl]methanone [(1R,3S)-3-aminocyclohexyl]-[(3R…

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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) 0.79 4.35 -46.78 3 3 1 48 243.396 1 ↓

Analogs

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Popular Name: [(1R,3S)-3-aminocyclohexyl]-[(3S)-3-methylthiomorpholin-4-yl]methanone [(1R,3S)-3-aminocyclohexyl]-[(3S…

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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) 0.79 4.43 -46.81 3 3 1 48 243.396 1 ↓

Analogs

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Popular Name: [(1S,3S)-3-aminocyclohexyl]-[(3R)-3-methylthiomorpholin-4-yl]methanone [(1S,3S)-3-aminocyclohexyl]-[(3R…

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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) 0.79 4.27 -40.98 3 3 1 48 243.396 1 ↓

Analogs

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Popular Name: [(1S,3S)-3-aminocyclohexyl]-[(3S)-3-methylthiomorpholin-4-yl]methanone [(1S,3S)-3-aminocyclohexyl]-[(3S…

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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) 0.79 4.17 -40.93 3 3 1 48 243.396 1 ↓

Parameters Provided:

ring.id = 253604
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 = 253604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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