UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: diethyl diethyl

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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) 0.69 7.19 -12.14 2 9 0 133 349.372 8 ↓

Analogs

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Popular Name: 5-propyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-propyl-4-[(1S)-1-(3-thienyl)et…

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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 7.91 -43.45 0 3 -1 31 252.388 4 ↓
Mid Mid (pH 6-8) 2.15 8.32 -9.62 1 3 0 34 253.396 4 ↓

Analogs

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Popular Name: 5-propyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-propyl-4-[(1R)-1-(3-thienyl)et…

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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 7.86 -43.49 0 3 -1 31 252.388 4 ↓
Mid Mid (pH 6-8) 2.15 8.12 -10.99 1 3 0 34 253.396 4 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1S)-1-(3-thienyl)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) 1.17 8.38 -47.04 0 5 -1 71 268.343 5 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-1-(3-thienyl)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) 1.17 8.38 -47.04 0 5 -1 71 268.343 5 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1S)-1-(3-thienyl…

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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 8.44 -51.52 0 5 -1 71 296.397 6 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1R)-1-(3-thienyl…

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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 8.39 -51.39 0 5 -1 71 296.397 6 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1S)-1-(3-thieny…

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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) 1.26 8.25 -50.39 0 5 -1 71 282.37 5 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1R)-1-(3-thieny…

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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) 1.26 7.78 -51.92 0 5 -1 71 282.37 5 ↓

Analogs

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Popular Name: 2-[[5-propyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-propyl-4-[(1S)-1-(3-thieny…

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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) 2.33 9.22 -51.05 0 5 -1 71 310.424 7 ↓

Analogs

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Popular Name: 2-[[5-propyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-propyl-4-[(1R)-1-(3-thieny…

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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) 2.33 9.17 -50.86 0 5 -1 71 310.424 7 ↓

Analogs

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Popular Name: 2-[[5-isopropyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-[(1S)-1-(3-thi…

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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 9.18 -50.24 0 5 -1 71 310.424 6 ↓

Analogs

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Popular Name: 2-[[5-isopropyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-[(1R)-1-(3-thi…

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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 9.18 -50.24 0 5 -1 71 310.424 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 3.33 9.32 -45.75 0 3 -1 31 280.442 4 ↓
Mid Mid (pH 6-8) 2.60 9.61 -11.63 1 3 0 34 281.45 4 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 3.33 9.68 -47.92 0 3 -1 31 280.442 4 ↓
Mid Mid (pH 6-8) 2.60 9.81 -11.9 1 3 0 34 281.45 4 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-1-(2,5-dimethyl-3-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) 1.61 9.85 -46.19 0 5 -1 71 296.397 5 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1S)-1-(2,5-dimethyl-3-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) 1.61 9.85 -46.3 0 5 -1 71 296.397 5 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-1-(2,5-dimethyl-3-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) 1.70 9.62 -51.35 0 5 -1 71 310.424 5 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1S)-1-(2,5-dimethyl-3-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) 1.70 9.7 -51.22 0 5 -1 71 310.424 5 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1S)-1-(2,5-dimethyl-3-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) 2.27 9.9 -52.82 0 5 -1 71 324.451 6 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-1-(2,5-dimethyl-3-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) 2.27 10.24 -51.21 0 5 -1 71 324.451 6 ↓

Parameters Provided:

ring.id = 151688
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 = 151688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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