UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-thiomorpholino-methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…

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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) -0.40 3.17 -10.07 1 4 0 53 262.334 1 ↓

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-3-pyridyl]-thiomorpholino-methanone [5-(4-hydroxybut-1-ynyl)-3-pyrid…

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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) -0.13 3.95 -8.6 1 4 0 53 276.361 2 ↓

Analogs

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Popular Name: (E)-3-[5-(thiomorpholine-4-carbonyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(thiomorpholine-4-carbo…

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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) -0.17 6.2 -46.29 0 5 -1 73 277.325 3 ↓

Analogs

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Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-thiomorpholino-methanone [5-(3-aminoprop-1-ynyl)-3-pyridy…

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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) -0.96 3.88 -57.14 3 4 1 61 262.358 1 ↓
Mid Mid (pH 6-8) -0.96 3.47 -8.03 2 4 0 59 261.35 1 ↓

Analogs

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Popular Name: (6-fluoro-3-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (6-fluoro-3-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) 0.89 4.9 -6.61 0 3 0 33 240.303 1 ↓

Analogs

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Popular Name: (6-fluoro-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (6-fluoro-3-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) 0.89 4.83 -6.25 0 3 0 33 240.303 1 ↓

Analogs

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Popular Name: (6-chloro-3-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (6-chloro-3-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) 1.40 5.38 -6.13 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (6-chloro-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (6-chloro-3-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) 1.40 5.31 -5.85 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (5-hydroxy-3-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (5-hydroxy-3-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) 0.31 3.41 -20.84 1 4 0 58 238.312 1 ↓
Hi High (pH 8-9.5) 0.31 2.86 -42.73 0 4 -1 56 237.304 1 ↓
Mid Mid (pH 6-8) 0.31 2.1 -8.19 1 4 0 53 238.312 1 ↓

Analogs

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Popular Name: (5-hydroxy-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (5-hydroxy-3-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) 0.31 3.34 -20.64 1 4 0 58 238.312 1 ↓
Hi High (pH 8-9.5) 0.31 2.78 -42.5 0 4 -1 56 237.304 1 ↓
Mid Mid (pH 6-8) 0.31 2.02 -7.88 1 4 0 53 238.312 1 ↓

Analogs

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Popular Name: (6-amino-3-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (6-amino-3-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) 0.21 3.7 -7.55 2 4 0 59 237.328 1 ↓
Lo Low (pH 4.5-6) 0.21 4.26 -37.78 3 4 1 60 238.336 1 ↓

Analogs

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Popular Name: (6-amino-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (6-amino-3-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) 0.21 3.63 -7.38 2 4 0 59 237.328 1 ↓
Lo Low (pH 4.5-6) 0.21 4.19 -37.37 3 4 1 60 238.336 1 ↓

Analogs

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Popular Name: (6-hydrazino-3-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (6-hydrazino-3-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) -0.03 3.6 -8.22 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: (6-hydrazino-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (6-hydrazino-3-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) -0.03 3.53 -8.03 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: (5-bromo-2-hydrazino-3-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (5-bromo-2-hydrazino-3-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) 0.87 4.43 -6.24 3 5 0 71 331.239 2 ↓

Analogs

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Popular Name: (5-bromo-2-hydrazino-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (5-bromo-2-hydrazino-3-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) 0.87 4.4 -5.53 3 5 0 71 331.239 2 ↓

Analogs

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Popular Name: (5-chloro-6-hydrazino-3-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (5-chloro-6-hydrazino-3-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) 0.57 4.15 -7.24 3 5 0 71 286.788 2 ↓

Analogs

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Popular Name: (5-chloro-6-hydrazino-3-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (5-chloro-6-hydrazino-3-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) 0.57 4.08 -6.85 3 5 0 71 286.788 2 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-(2-hydrazino-3-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) 0.31 4.58 -8.19 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-(2-hydrazino-3-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) 0.31 4.94 -7.93 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-(2-hydrazino-3-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) 0.31 4.98 -8.92 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-(6-hydrazino-3-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) 0.36 4.4 -10.53 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-(6-hydrazino-3-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) 0.36 4.61 -8.48 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-(6-hydrazino-3-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) 0.36 4.73 -10.11 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [6-(dimethylamino)-3-pyridyl]-thiomorpholino-methanone [6-(dimethylamino)-3-pyridyl]-th…

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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 5.98 -9.6 0 4 0 36 251.355 2 ↓
Lo Low (pH 4.5-6) 0.50 6.34 -34.6 1 4 1 38 252.363 2 ↓

Analogs

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Popular Name: [2-(dimethylamino)-3-pyridyl]-thiomorpholino-methanone [2-(dimethylamino)-3-pyridyl]-th…

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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) 0.45 6.21 -9.46 0 4 0 36 251.355 2 ↓
Lo Low (pH 4.5-6) 0.45 6.69 -38.67 1 4 1 38 252.363 2 ↓

Analogs

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Popular Name: 5-(thiomorpholine-4-carbonyl)pyridine-2-carboxamide 5-(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) -1.06 1.2 -9.64 2 5 0 76 251.311 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 2901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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