UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,3R)-3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethyl-cyclopropanecarboxylic (1S,3R)-3-[(4,4-dimethylcyclohex…

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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) 3.79 10.08 -49.52 0 2 -1 40 235.347 2 ↓

Analogs

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Popular Name: (1S,3S)-3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethyl-cyclopropanecarboxylic (1S,3S)-3-[(4,4-dimethylcyclohex…

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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) 3.79 10.24 -48.89 0 2 -1 40 235.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethyl-cyclopropanecarboxylic (1R,3R)-3-[(4,4-dimethylcyclohex…

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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) 3.79 10.21 -47.65 0 2 -1 40 235.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethyl-cyclopropanecarboxylic (1R,3S)-3-[(4,4-dimethylcyclohex…

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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) 3.79 10.09 -49.71 0 2 -1 40 235.347 2 ↓

Analogs

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Popular Name: (1S,3R)-3-[[(2S,6R)-2,6-dimethylcyclohexylidene]methyl]-2,2-dimethyl-cyclopropanecarboxylic (1S,3R)-3-[[(2S,6R)-2,6-dimethyl…

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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) 4.08 9.68 -49.77 0 2 -1 40 235.347 2 ↓

Analogs

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Popular Name: (1S,3R)-3-[[(2S,6S)-2,6-dimethylcyclohexylidene]methyl]-2,2-dimethyl-cyclopropanecarboxylic (1S,3R)-3-[[(2S,6S)-2,6-dimethyl…

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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) 4.08 10.12 -49.46 0 2 -1 40 235.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(2R,6R)-2,6-dimethylcyclohexylidene]methyl]-2,2-dimethyl-cyclopropanecarboxylic (1S,3R)-3-[[(2R,6R)-2,6-dimethyl…

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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) 4.08 10.1 -49.67 0 2 -1 40 235.347 2 ↓

Analogs

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Popular Name: (1S,3R)-2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexylidene)methyl]cyclopropanecarboxylic (1S,3R)-2,2-dimethyl-3-[(3,3,5,5…

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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) 4.67 11.14 -50.06 0 2 -1 40 263.401 2 ↓

Analogs

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Popular Name: (1S,3S)-2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexylidene)methyl]cyclopropanecarboxylic (1S,3S)-2,2-dimethyl-3-[(3,3,5,5…

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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) 4.67 11.3 -48.45 0 2 -1 40 263.401 2 ↓

Analogs

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Popular Name: (1R,3R)-2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexylidene)methyl]cyclopropanecarboxylic (1R,3R)-2,2-dimethyl-3-[(3,3,5,5…

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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) 4.67 11.27 -48.81 0 2 -1 40 263.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexylidene)methyl]cyclopropanecarboxylic (1R,3S)-2,2-dimethyl-3-[(3,3,5,5…

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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) 4.67 11.12 -49.57 0 2 -1 40 263.401 2 ↓

Parameters Provided:

ring.id = 196925
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 = 196925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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