UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(m-tolylsulfanylmethyl)-2H-benzo[e][1,2,4]thiadiazine 3-(m-tolylsulfanylmethyl)-2H-ben…

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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 6.7 -24 1 4 0 59 318.423 3 ↓
Mid Mid (pH 6-8) 3.30 6.3 -41.26 0 4 -1 61 317.415 3 ↓

Analogs

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Popular Name: 3-(phenylsulfanylmethyl)-2H-benzo[e][1,2,4]thiadiazine 3-(phenylsulfanylmethyl)-2H-benz…

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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) 2.87 6.04 -23.85 1 4 0 59 304.396 3 ↓
Mid Mid (pH 6-8) 2.87 5.63 -41.1 0 4 -1 61 303.388 3 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)methylsulfanyl]benzonitrile 4-[(1,1-dioxo-2H-benzo[e][1,2,4]…

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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) 2.63 6.43 -27.3 1 5 0 82 329.406 3 ↓
Mid Mid (pH 6-8) 2.63 6.02 -39.39 0 5 -1 84 328.398 3 ↓

Analogs

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Popular Name: 3-[(2-methoxyphenyl)sulfanylmethyl]-2H-benzo[e][1,2,4]thiadiazine 3-[(2-methoxyphenyl)sulfanylmeth…

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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 5.38 -26.91 1 5 0 68 334.422 4 ↓
Mid Mid (pH 6-8) 2.88 4.97 -45.16 0 5 -1 70 333.414 4 ↓

Analogs

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Popular Name: 3-[(2-fluorophenyl)sulfanylmethyl]-4H-benzo[e][1,2,4]thiadiazine 3-[(2-fluorophenyl)sulfanylmethy…

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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) 2.99 6.08 -28.05 1 4 0 59 322.386 3 ↓
Mid Mid (pH 6-8) 2.99 5.67 -44.02 0 4 -1 61 321.378 3 ↓

Analogs

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Popular Name: 3-(o-tolylsulfanylmethyl)-4H-benzo[e][1,2,4]thiadiazine 3-(o-tolylsulfanylmethyl)-4H-ben…

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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) 3.27 6.61 -23.4 1 4 0 59 318.423 3 ↓
Mid Mid (pH 6-8) 3.27 6.2 -41.22 0 4 -1 61 317.415 3 ↓

Parameters Provided:

ring.id = 429628
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 = 429628 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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