UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8603133
8603133

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Popular Name: Sudan Black B Sudan Black 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) 7.75 -1.26 -14.98 2 6 0 74 456.553 4 ↓

Analogs

25462732
25462732

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Popular Name: chloromethyl-(1-piperidyl)spiro[BLAH-1,1'-cyclohexane]carbonitrile chloromethyl-(1-piperidyl)spiro[…

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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) 4.74 7.61 -11.85 2 7 0 86 438.963 2 ↓
Mid Mid (pH 6-8) 4.74 8.03 -42.72 3 7 1 87 439.971 2 ↓

Analogs

25462726
25462726

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Popular Name: chloromethyl-(1-piperidyl)spiro[BLAH-1,1'-cyclohexane]carbonitrile chloromethyl-(1-piperidyl)spiro[…

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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) 4.74 7.6 -11.44 2 7 0 86 438.963 2 ↓
Mid Mid (pH 6-8) 4.74 8.04 -41.49 3 7 1 87 439.971 2 ↓

Analogs

16448777
16448777

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Popular Name: 2-(4-propoxyphenyl)-2,3-dihydro-1H-perimidine 2-(4-propoxyphenyl)-2,3-dihydro-…

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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) 5.13 9.12 -7.59 2 3 0 33 304.393 4 ↓

Analogs

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Popular Name: 2-(5-bromo-2-fluorophenyl)-2,3-dihydro-1H-perimidine 2-(5-bromo-2-fluorophenyl)-2,3-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) 5.09 -1.66 -5.85 2 2 0 24 343.199 1 ↓

Parameters Provided:

ring.id = 102782
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 = 102782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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