UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49364200
49364200

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Popular Name: 5-(4-cyclopropylpiperazin-1-yl)-1,3,4-thiadiazole-2-thiol 5-(4-cyclopropylpiperazin-1-yl)-…

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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) 1.53 6.27 -63.07 1 4 0 33 242.373 2 ↓
Mid Mid (pH 6-8) 1.53 3.91 -40.8 0 4 -1 32 241.365 2 ↓

Analogs

23139750
23139750
12976371
12976371

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Popular Name: 2-[[5-(4-cyclopropylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(4-cyclopropylpiperazin-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) 0.98 7.61 -71.72 1 6 0 74 300.409 5 ↓
Mid Mid (pH 6-8) 0.98 5.26 -44.4 0 6 -1 72 299.401 5 ↓

Parameters Provided:

ring.id = 5427
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 = 5427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=5427&filter.purchasability=annotated

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