UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 1.95 7.23 -13.62 1 8 0 88 426.516 10 ↓
Ref Reference (pH 7) 1.95 7.46 -17.25 1 8 0 88 426.516 10 ↓

Analogs

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Popular Name: N-[3-[(3-isobutyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methylamino]phenyl]acetamide N-[3-[(3-isobutyl-4-oxo-2-thioxo…

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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) 2.09 -2.05 -16.69 2 5 0 63 349.481 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.33 8.02 -13.13 1 6 0 70 366.464 8 ↓
Ref Reference (pH 7) 2.33 8.24 -17.16 1 6 0 70 366.464 8 ↓

Analogs

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Popular Name: N-[4-[(3-isopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methylamino]phenyl]acetamide N-[4-[(3-isopentyl-4-oxo-2-thiox…

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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) 2.64 -1.86 -13.89 2 5 0 63 363.508 6 ↓

Analogs

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Popular Name: 11-[5-[(3-hydroxyphenyl)aminomethylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic 11-[5-[(3-hydroxyphenyl)aminomet…

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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) 4.59 11.37 -54.17 2 6 -1 94 435.591 13 ↓

Parameters Provided:

ring.id = 7087
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 = 7087 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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