UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11820437
11820437

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Popular Name: (3R)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidine-3-carboxamide (3R)-1-[(3-butyl-2-isohexylsulfo…

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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) 2.70 -4.59 -55.54 3 7 1 99 413.608 11 ↓
Mid Mid (pH 6-8) 2.70 -4.33 -117.61 4 7 2 101 414.616 11 ↓

Analogs

11820436
11820436

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Popular Name: (3S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidine-3-carboxamide (3S)-1-[(3-butyl-2-isohexylsulfo…

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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) 2.70 -4.74 -58.06 3 7 1 99 413.608 11 ↓
Mid Mid (pH 6-8) 2.70 -4.47 -120.5 4 7 2 101 414.616 11 ↓

Analogs

12209394
12209394

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Popular Name: [(2R)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-2-piperidyl]methanol [(2R)-1-[(3-butyl-2-isohexylsulf…

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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) 3.45 -4.08 -46.3 2 6 1 77 400.609 11 ↓

Analogs

12209392
12209392

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Popular Name: [(2S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-2-piperidyl]methanol [(2S)-1-[(3-butyl-2-isohexylsulf…

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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) 3.45 -4.57 -45.95 2 6 1 77 400.609 11 ↓

Analogs

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Popular Name: (3R)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3-propoxy-piperidine (3R)-1-[(3-isopentyl-2-isopropyl…

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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) 3.48 6.76 -11.71 0 6 0 64 399.601 10 ↓

Analogs

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Popular Name: (3S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3-propoxy-piperidine (3S)-1-[(3-isopentyl-2-isopropyl…

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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) 3.48 6.72 -12.36 0 6 0 64 399.601 10 ↓

Analogs

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Popular Name: ethyl 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) 1.10 4.03 -18.79 0 8 0 91 387.502 10 ↓

Analogs

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Popular Name: (3R)-1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxy-piperidine (3R)-1-[[2-(2,2-dimethylpropylsu…

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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) 2.77 5.54 -11.56 0 7 0 74 415.6 11 ↓

Analogs

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Popular Name: (3S)-1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxy-piperidine (3S)-1-[[2-(2,2-dimethylpropylsu…

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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) 2.77 5.54 -12.03 0 7 0 74 415.6 11 ↓

Analogs

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Popular Name: ethyl 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) 2.48 6.24 -16.24 0 8 0 91 429.583 12 ↓

Analogs

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Popular Name: 1-[(3R)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-piperidyl]ethanone 1-[(3R)-1-[[3-(3-methoxypropyl)-…

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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 2.94 -18.81 0 7 0 82 357.476 8 ↓

Analogs

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Popular Name: 1-[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-piperidyl]ethanone 1-[(3S)-1-[[3-(3-methoxypropyl)-…

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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 2.92 -18.08 0 7 0 82 357.476 8 ↓

Parameters Provided:

ring.id = 51995
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 = 51995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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