UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-butyl-N-methyl-N-[(4-phenylcyclohexylidene)amino]-1-sulfanyl-formamidine N'-butyl-N-methyl-N-[(4-phenylcy…

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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) 4.93 11.91 -14.96 1 3 0 30 317.502 6 ↓

Analogs

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Popular Name: N'-(2-methoxyethyl)-N-[(4-phenylcyclohexylidene)amino]-1-sulfanyl-formamidine N'-(2-methoxyethyl)-N-[(4-phenyl…

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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) 3.24 8.17 -15.71 2 4 0 48 305.447 6 ↓
Ref Reference (pH 7) 3.20 8.28 -11.22 2 4 0 46 305.447 7 ↓

Analogs

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Popular Name: 2-[(4-phenylcyclohexylidene)amino]oxyacetic 2-[(4-phenylcyclohexylidene)amin…

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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) 2.46 9.08 -50.25 0 4 -1 62 246.286 4 ↓

Parameters Provided:

ring.id = 226263
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 = 226263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=226263&filter.purchasability=annotated

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