UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[isopropyl(methyl)amino]-N-[4-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiazol-2-yl]aceta 2-[isopropyl(methyl)amino]-N-[4-…

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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) 1.94 7.93 -76.12 2 7 0 77 340.478 5 ↓
Hi High (pH 8-9.5) 1.94 5.71 -51.22 1 7 -1 76 339.47 5 ↓
Lo Low (pH 4.5-6) 1.21 7.85 -53.21 3 7 1 80 341.486 5 ↓

Analogs

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Popular Name: (2R)-2-allyloxy-N-[4-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiazol-2-yl]propanamide (2R)-2-allyloxy-N-[4-methyl-5-(4…

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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) 1.86 7.57 -54.09 1 7 -1 82 338.438 6 ↓
Lo Low (pH 4.5-6) 1.13 7.5 -21.8 2 7 0 85 339.446 6 ↓

Analogs

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Popular Name: (2S)-2-allyloxy-N-[4-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiazol-2-yl]propanamide (2S)-2-allyloxy-N-[4-methyl-5-(4…

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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) 1.86 7.57 -54.4 1 7 -1 82 338.438 6 ↓
Lo Low (pH 4.5-6) 1.13 7.5 -21.9 2 7 0 85 339.446 6 ↓

Analogs

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Popular Name: (2R)-N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-methyl-3-methylsulfanyl- (2R)-N-[5-(4-allyl-5-thioxo-1H-1…

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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) 2.78 9.28 -48.76 1 6 -1 73 368.533 7 ↓
Lo Low (pH 4.5-6) 2.06 9.18 -15.78 2 6 0 76 369.541 7 ↓

Analogs

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Popular Name: (2S)-N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-methyl-3-methylsulfanyl- (2S)-N-[5-(4-allyl-5-thioxo-1H-1…

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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) 2.78 9.28 -48.76 1 6 -1 73 368.533 7 ↓
Lo Low (pH 4.5-6) 2.06 9.18 -15.81 2 6 0 76 369.541 7 ↓

Parameters Provided:

ring.id = 166685
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 = 166685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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