UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3R)-3-methylthiomorpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(3R)-3-methylthiomorpholin-4-yl…

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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) 0.53 2.97 -8.61 1 3 0 32 232.374 1 ↓
Mid Mid (pH 6-8) 0.53 4.08 -42.36 2 3 1 37 233.382 1 ↓

Analogs

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

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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) 0.53 2.97 -8.47 1 3 0 32 232.374 1 ↓
Mid Mid (pH 6-8) 0.53 4.08 -42.09 2 3 1 37 233.382 1 ↓

Analogs

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

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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) 0.53 2.84 -5.91 1 3 0 32 232.374 1 ↓
Mid Mid (pH 6-8) 0.53 4.12 -41.91 2 3 1 37 233.382 1 ↓

Analogs

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Popular Name: [(3S)-3-methylthiomorpholin-4-yl]-[(4S)-thiazolidin-4-yl]methanone [(3S)-3-methylthiomorpholin-4-yl…

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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) 0.53 2.77 -5.69 1 3 0 32 232.374 1 ↓
Mid Mid (pH 6-8) 0.53 4.06 -41.98 2 3 1 37 233.382 1 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(2S,6R)-2,6-dimethylthiomorphol…

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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) 0.92 3.72 -9.36 1 3 0 32 246.401 1 ↓
Mid Mid (pH 6-8) 0.92 4.85 -43.38 2 3 1 37 247.409 1 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(2S,6S)-2,6-dimethylthiomorphol…

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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) 0.92 4.05 -8.92 1 3 0 32 246.401 1 ↓
Mid Mid (pH 6-8) 0.92 5.18 -43.29 2 3 1 37 247.409 1 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(2R,6R)-2,6-dimethylthiomorphol…

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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) 0.92 4 -8.8 1 3 0 32 246.401 1 ↓
Mid Mid (pH 6-8) 0.92 5.14 -43.21 2 3 1 37 247.409 1 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[(4R)-4-[(2R)-2-methylthiomorpholine-4-carbonyl]thiazolidin-3-yl]propan-1-one 2,2-dimethyl-1-[(4R)-4-[(2R)-2-m…

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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) 1.83 7.51 -13.24 0 4 0 41 316.492 2 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[(4R)-4-[(2S)-2-methylthiomorpholine-4-carbonyl]thiazolidin-3-yl]propan-1-one 2,2-dimethyl-1-[(4R)-4-[(2S)-2-m…

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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) 1.83 7.51 -13.02 0 4 0 41 316.492 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-1-[(4S)-4-[(2R)-2-methylthiomorpholine-4-carbonyl]thiazolidin-3-yl]propan-1-one 2,2-dimethyl-1-[(4S)-4-[(2R)-2-m…

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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) 1.83 7.89 -16.19 0 4 0 41 316.492 2 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[(4S)-4-[(2S)-2-methylthiomorpholine-4-carbonyl]thiazolidin-3-yl]propan-1-one 2,2-dimethyl-1-[(4S)-4-[(2S)-2-m…

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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) 1.83 6.73 -14.8 0 4 0 41 316.492 2 ↓

Parameters Provided:

ring.id = 294233
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 = 294233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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