UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(bromoBLAHyl)aminoiminomethyl]phenol 2-[(bromoBLAHyl)aminoiminomethyl…

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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) 3.86 7.49 -13.72 3 7 0 99 383.209 3 ↓
Hi High (pH 8-9.5) 3.86 8.26 -58.67 2 7 -1 102 382.201 3 ↓

Analogs

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Popular Name: ethyl-N-[(4-ethylphenyl)methyleneamino]BLAHamine ethyl-N-[(4-ethylphenyl)methylen…

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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) 4.49 0.53 -14.53 1 6 0 68 344.422 5 ↓

Analogs

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Popular Name: 4-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazono]methyl]benzene-1,3-diol 4-[(Z)-[(6-methyl-5H-[1,2,4]tria…

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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) 2.97 4.45 -14.5 4 8 0 119 334.339 3 ↓
Hi High (pH 8-9.5) 2.97 5.23 -46.65 3 8 -1 122 333.331 3 ↓

Parameters Provided:

ring.id = 43702
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 = 43702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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