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Analogs

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Popular Name: (1S,3Z,4R)-3-[(hydroxy-phenyl-amino)methylene]-1,7,7-trimethyl-norbornan-2-one (1S,3Z,4R)-3-[(hydroxy-phenyl-am…

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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) 3.42 9.61 -10.41 1 3 0 41 271.36 2 ↓

Analogs

25758553
25758553
25758557
25758557

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Popular Name: (1R,3Z,4S)-3-(anilinomethylene)-1,7,7-trimethyl-norbornan-2-one (1R,3Z,4S)-3-(anilinomethylene)-…

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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) 3.49 9.07 -7.14 1 2 0 29 255.361 2 ↓

Analogs

25758553
25758553
25758557
25758557

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Popular Name: (1S,3Z,4R)-3-(anilinomethylene)-1,7,7-trimethyl-norbornan-2-one (1S,3Z,4R)-3-(anilinomethylene)-…

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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) 3.49 9.07 -7.17 1 2 0 29 255.361 2 ↓

Analogs

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Popular Name: (1R,3Z,4S)-3-[[(4-chlorophenyl)amino]methylene]-1,7,7-trimethyl-norbornan-2-one (1R,3Z,4S)-3-[[(4-chlorophenyl)a…

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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) 4.17 9.59 -6.8 1 2 0 29 289.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3Z,4R)-3-[[(4-chlorophenyl)amino]methylene]-1,7,7-trimethyl-norbornan-2-one (1S,3Z,4R)-3-[[(4-chlorophenyl)a…

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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) 4.17 9.59 -6.81 1 2 0 29 289.806 2 ↓

Analogs

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Popular Name: (1S,3Z,4R)-3-[(chloro-phenyl-amino)methylene]-1,7,7-trimethyl-norbornan-2-one (1S,3Z,4R)-3-[(chloro-phenyl-ami…

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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) 4.31 10.52 -9.87 0 2 0 20 289.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3Z,4S)-3-[[(4-hydroxyphenyl)amino]methylene]-1,7,7-trimethyl-norbornan-2-one (1R,3Z,4S)-3-[[(4-hydroxyphenyl)…

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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) 3.01 6.21 -8.56 2 3 0 49 271.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3Z,4R)-3-[[(4-hydroxyphenyl)amino]methylene]-1,7,7-trimethyl-norbornan-2-one (1S,3Z,4R)-3-[[(4-hydroxyphenyl)…

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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) 3.01 6.21 -8.53 2 3 0 49 271.36 2 ↓

Analogs

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Popular Name: 2-[[(Z)-[(1S,4R)-4,7,7-trimethyl-3-oxo-norbornan-2-ylidene]methyl]amino]benzoic 2-[[(Z)-[(1S,4R)-4,7,7-trimethyl…

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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) 3.53 9.67 -49.01 1 4 -1 69 298.362 3 ↓

Analogs

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Popular Name: 2-[[(Z)-[(1R,4S)-4,7,7-trimethyl-3-oxo-norbornan-2-ylidene]methyl]amino]benzoic 2-[[(Z)-[(1R,4S)-4,7,7-trimethyl…

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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) 3.53 9.67 -49.09 1 4 -1 69 298.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3E,4S)-1,7,7-trimethyl-3-[[(4-nitrophenyl)amino]methylene]norbornan-2-one (1R,3E,4S)-1,7,7-trimethyl-3-[[(…

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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) 3.45 9.78 -10.67 1 5 0 75 300.358 3 ↓

Analogs

4235391
4235391

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Popular Name: N-[4-[[(Z)-[(1S,4R)-4,7,7-trimethyl-3-oxo-norbornan-2-ylidene]methyl]amino]phenyl]acetamide N-[4-[[(Z)-[(1S,4R)-4,7,7-trimet…

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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) 2.71 8.1 -12.11 2 4 0 58 312.413 3 ↓

Parameters Provided:

ring.id = 133890
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 = 133890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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