UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14257413
14257413

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Popular Name: 4-Amino-6-(3-chlorophenyl)-1,6-dihydro-1,3,5-triazine-2-thiol 4-Amino-6-(3-chlorophenyl)-1,6-d…

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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) 1.82 6 -47.37 5 4 1 62 241.727 1 ↓
Mid Mid (pH 6-8) 1.82 6.06 -11.79 4 4 0 60 240.719 1 ↓
Mid Mid (pH 6-8) 1.70 6.24 -45.42 5 4 1 64 241.727 1 ↓

Analogs

14257412
14257412

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Popular Name: 4-Amino-6-(3-chlorophenyl)-1,6-dihydro-1,3,5-triazine-2-thiol 4-Amino-6-(3-chlorophenyl)-1,6-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.82 6 -47.36 5 4 1 62 241.727 1 ↓
Mid Mid (pH 6-8) 1.82 6.06 -11.8 4 4 0 60 240.719 1 ↓

Parameters Provided:

ring.id = 242675
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 = 242675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=242675&filter.purchasability=annotated

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