UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4170236
4170236
4170239
4170239
10014025
10014025

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Popular Name: N,N'-dimethyl-phenyl-BLAHdiamine N,N'-dimethyl-phenyl-BLAHdiamine

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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) 1.74 -4.92 -14.93 2 7 0 84 320.356 3 ↓

Analogs

4546365
4546365
4170234
4170234

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Popular Name: N,N,N',N'-tetramethyl-phenyl-BLAHdiamine N,N,N',N'-tetramethyl-phenyl-BLA…

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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) 2.23 -4.56 -10.09 0 7 0 67 348.41 3 ↓

Analogs

4546365
4546365
4170234
4170234

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Popular Name: (4-chlorophenyl)-N,N'-dimethyl-BLAHdiamine (4-chlorophenyl)-N,N'-dimethyl-B…

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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) 2.42 -5.07 -14.78 2 7 0 84 354.801 3 ↓

Parameters Provided:

ring.id = 247027
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 = 247027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=247027&filter.purchasability=annotated

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