UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-(1-piperidyl)phenyl]-4,5-dihydrothiazol-2-amine N-[4-(1-piperidyl)phenyl]-4,5-di…

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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) 3.10 7.42 -8.02 1 3 0 28 261.394 2 ↓
Mid Mid (pH 6-8) 3.10 7.42 -27.26 2 3 1 29 262.402 3 ↓

Analogs

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Popular Name: (5R)-5-methyl-N-[4-(1-piperidyl)phenyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[4-(1-piperidyl)…

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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) 3.47 8.15 -7.42 1 3 0 28 275.421 2 ↓
Mid Mid (pH 6-8) 3.47 8.13 -26.41 2 3 1 29 276.429 3 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-[4-(1-piperidyl)phenyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[4-(1-piperidyl)…

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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) 3.47 8.15 -7.38 1 3 0 28 275.421 2 ↓
Mid Mid (pH 6-8) 3.47 8.12 -26.65 2 3 1 29 276.429 3 ↓

Parameters Provided:

ring.id = 330073
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 = 330073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=330073&filter.purchasability=annotated

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