UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]aniline 2-[2-[[5-(trifluoromethyl)-2-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) 3.77 7.49 -4.76 2 2 0 39 298.333 5 ↓

Analogs

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Popular Name: 2-[2-(2-pyridylsulfanyl)ethyl]aniline 2-[2-(2-pyridylsulfanyl)ethyl]an…

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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) 2.88 6.54 -5.75 2 2 0 39 230.336 4 ↓

Analogs

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Popular Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]pyridine-3-carboxylic 2-[2-(4-methoxyphenyl)ethylsulfa…

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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) 3.02 8.32 -49.18 0 4 -1 62 288.348 6 ↓

Analogs

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Popular Name: (2S)-2-[(3-fluoro-2-pyridyl)sulfanyl]-3-phenyl-propanoic (2S)-2-[(3-fluoro-2-pyridyl)sulf…

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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) 2.79 9.23 -53.26 0 3 -1 53 276.312 5 ↓

Analogs

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Popular Name: (2R)-2-[(3-fluoro-2-pyridyl)sulfanyl]-3-phenyl-propanoic (2R)-2-[(3-fluoro-2-pyridyl)sulf…

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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) 2.79 9.43 -52.24 0 3 -1 53 276.312 5 ↓

Analogs

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Popular Name: 2-phenethylsulfanylpyridine-4-carboxylic 2-phenethylsulfanylpyridine-4-ca…

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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) 3.30 9.14 -45.24 0 3 -1 53 258.322 5 ↓

Analogs

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Popular Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-nitrophenyl)ethylsulfany…

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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) 3.26 9.85 -48.38 0 6 -1 99 303.319 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-hydroxy-2-phenyl-ethyl]sulfanylpyridine-4-carboxylic 2-[(2S)-2-hydroxy-2-phenyl-ethyl…

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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) 2.31 5.99 -46.95 1 4 -1 73 274.321 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-hydroxy-2-phenyl-ethyl]sulfanylpyridine-4-carboxylic 2-[(2R)-2-hydroxy-2-phenyl-ethyl…

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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) 2.31 6.03 -46.89 1 4 -1 73 274.321 5 ↓

Analogs

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Popular Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]pyridin-3-amine 2-[2-(4-methoxyphenyl)ethylsulfa…

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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) 2.93 5.83 -7.34 2 3 0 48 260.362 5 ↓

Analogs

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Popular Name: 2-phenethylsulfanylpyridin-3-amine 2-phenethylsulfanylpyridin-3-amine

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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) 2.88 6.53 -5.91 2 2 0 39 230.336 4 ↓

Analogs

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Popular Name: 6-[2-(4-methoxyphenyl)ethylsulfanyl]pyridin-3-amine 6-[2-(4-methoxyphenyl)ethylsulfa…

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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) 3.15 5.76 -7.35 2 3 0 48 260.362 5 ↓

Analogs

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Popular Name: 6-phenethylsulfanylpyridin-3-amine 6-phenethylsulfanylpyridin-3-amine

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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) 3.09 6.46 -5.98 2 2 0 39 230.336 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-phenethylsulfanyl-pyridine-3-carboxylic 4,6-dimethyl-2-phenethylsulfanyl…

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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) 3.78 10.41 -54.69 0 3 -1 53 286.376 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-hydroxy-2-phenyl-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[(2R)-2-hydroxy-2-phenyl-ethyl…

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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) 2.79 7.3 -56.99 1 4 -1 73 302.375 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-hydroxy-2-phenyl-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[(2S)-2-hydroxy-2-phenyl-ethyl…

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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) 2.79 7.26 -57.19 1 4 -1 73 302.375 5 ↓

Analogs

481401
481401

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Popular Name: 6-phenethylsulfanylpyridine-3-carboxylic 6-phenethylsulfanylpyridine-3-ca…

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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) 3.02 9.12 -44.85 0 3 -1 53 258.322 5 ↓

Analogs

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Popular Name: 6-[2-(4-nitrophenyl)ethylsulfanyl]pyridine-3-carboxylic 6-[2-(4-nitrophenyl)ethylsulfany…

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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) 2.98 9.84 -48.7 0 6 -1 99 303.319 6 ↓

Analogs

481401
481401
481446
481446

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Popular Name: 6-[(2S)-2-hydroxy-2-phenyl-ethyl]sulfanylpyridine-3-carboxylic 6-[(2S)-2-hydroxy-2-phenyl-ethyl…

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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) 2.03 5.98 -45.56 1 4 -1 73 274.321 5 ↓

Analogs

481401
481401
481446
481446

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Popular Name: 6-[(2R)-2-hydroxy-2-phenyl-ethyl]sulfanylpyridine-3-carboxylic 6-[(2R)-2-hydroxy-2-phenyl-ethyl…

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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) 2.03 6.01 -45.61 1 4 -1 73 274.321 5 ↓

Parameters Provided:

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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 = 35505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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