UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-N,N,3-trimethyl-2-[[5-[(2-methylthiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide (2R)-N,N,3-trimethyl-2-[[5-[(2-m…

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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) 1.03 2.49 -13.9 0 6 0 72 340.474 6 ↓

Analogs

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Popular Name: 2-(2-tert-butoxyethylsulfanyl)-5-[(2-methylthiazol-4-yl)methyl]-1,3,4-oxadiazole 2-(2-tert-butoxyethylsulfanyl)-5…

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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) 2.18 2.07 -12.11 0 5 0 61 313.448 7 ↓

Analogs

42101562
42101562

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Popular Name: (2S)-N-isopentyl-2-[[5-[(2-methylthiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (2S)-N-isopentyl-2-[[5-[(2-methy…

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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) 2.13 2.23 -13.83 1 6 0 81 354.501 8 ↓

Analogs

42101561
42101561

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Popular Name: (2R)-N-isopentyl-2-[[5-[(2-methylthiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (2R)-N-isopentyl-2-[[5-[(2-methy…

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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) 2.13 2.22 -13.87 1 6 0 81 354.501 8 ↓

Analogs

42101579
42101579

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Popular Name: (2R)-N-(1-ethylpropyl)-2-[[5-[(2-methylthiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamid (2R)-N-(1-ethylpropyl)-2-[[5-[(2…

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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) 2.22 2.55 -13.58 1 6 0 81 354.501 8 ↓

Analogs

42101577
42101577

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Popular Name: (2S)-N-(1-ethylpropyl)-2-[[5-[(2-methylthiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamid (2S)-N-(1-ethylpropyl)-2-[[5-[(2…

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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) 2.22 2.57 -13.59 1 6 0 81 354.501 8 ↓

Parameters Provided:

ring.id = 174912
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 = 174912 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=174912&filter.purchasability=annotated

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