UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48791202
48791202

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Popular Name: 6-(thiomorpholine-4-carbonyl)pyridine-2-carboxylic 6-(thiomorpholine-4-carbonyl)pyr…

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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) 0.24 5.55 -48.29 0 5 -1 73 251.287 2 ↓

Analogs

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Popular Name: (6-chloro-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (6-chloro-2-pyridyl)-[(3R)-3-met…

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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) 1.94 6.3 -5.92 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (6-chloro-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (6-chloro-2-pyridyl)-[(3S)-3-met…

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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) 1.94 6.33 -5.63 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (4-chloro-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-chloro-2-pyridyl)-[(3R)-3-met…

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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) 1.94 6.4 -6.6 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (4-chloro-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-chloro-2-pyridyl)-[(3S)-3-met…

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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) 1.94 6.43 -6.46 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (3-hydroxy-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (3-hydroxy-2-pyridyl)-[(3R)-3-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) 1.04 4.92 -48.26 0 4 -1 56 237.304 1 ↓
Mid Mid (pH 6-8) 1.04 3.97 -9.64 1 4 0 53 238.312 1 ↓
Mid Mid (pH 6-8) 1.04 5.15 -38.34 1 4 0 58 238.312 1 ↓

Analogs

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Popular Name: (3-hydroxy-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (3-hydroxy-2-pyridyl)-[(3S)-3-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) 1.04 4.95 -47.77 0 4 -1 56 237.304 1 ↓
Mid Mid (pH 6-8) 1.04 3.98 -9.52 1 4 0 53 238.312 1 ↓
Mid Mid (pH 6-8) 1.04 5.28 -36.53 1 4 0 58 238.312 1 ↓

Analogs

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Popular Name: (6-amino-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (6-amino-2-pyridyl)-[(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) 0.75 4.64 -7.19 2 4 0 59 237.328 1 ↓

Analogs

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Popular Name: (6-amino-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (6-amino-2-pyridyl)-[(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) 0.75 4.67 -7.03 2 4 0 59 237.328 1 ↓

Analogs

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Popular Name: (4-amino-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-amino-2-pyridyl)-[(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) 0.34 3.78 -7.4 2 4 0 59 237.328 1 ↓
Lo Low (pH 4.5-6) 0.34 3.94 -36.15 3 4 1 60 238.336 1 ↓

Analogs

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Popular Name: (4-amino-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-amino-2-pyridyl)-[(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) 0.34 3.81 -7.19 2 4 0 59 237.328 1 ↓
Lo Low (pH 4.5-6) 0.34 4.09 -34.86 3 4 1 60 238.336 1 ↓

Analogs

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Popular Name: (4-hydrazino-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-hydrazino-2-pyridyl)-[(3R)-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) 0.50 3.57 -7.28 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: (4-hydrazino-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-hydrazino-2-pyridyl)-[(3S)-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) 0.50 3.6 -7.11 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: (3-chloro-6-hydrazino-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (3-chloro-6-hydrazino-2-pyridyl)…

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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) 1.52 5 -8.44 3 5 0 71 286.788 2 ↓

Analogs

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Popular Name: (3-chloro-6-hydrazino-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (3-chloro-6-hydrazino-2-pyridyl)…

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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) 1.52 5.12 -8.34 3 5 0 71 286.788 2 ↓

Analogs

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Popular Name: (6-hydrazino-2-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (6-hydrazino-2-pyridyl)-[(3R)-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) 0.51 4.54 -7.6 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: (6-hydrazino-2-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (6-hydrazino-2-pyridyl)-[(3S)-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) 0.51 4.59 -7.42 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-(6-hydrazino-2-pyridyl)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) 0.90 5.32 -9.69 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-(6-hydrazino-2-pyridyl)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) 0.90 5.9 -8.47 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-(6-hydrazino-2-pyridyl)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) 0.90 6.05 -9.11 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-(4-hydrazino-2-pyridyl)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) 0.90 4.05 -8.43 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-(4-hydrazino-2-pyridyl)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) 0.90 4.67 -7.93 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-(4-hydrazino-2-pyridyl)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) 0.90 4.37 -8.03 3 5 0 71 266.37 2 ↓

Analogs

36756883
36756883

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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) 0.50 5.85 -8.38 0 5 0 60 266.322 3 ↓

Parameters Provided:

ring.id = 112066
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 112066 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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