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Analogs

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Popular Name: (1R,4aS,9E,10aR)-6,8-dichloro-7-isopropyl-1,4a-dimethyl-9-(3-methylbut-2-enoxyimino)-3,4,10,10a-tetr (1R,4aS,9E,10aR)-6,8-dichloro-7-…

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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) 7.52 14.91 -58.75 0 4 -1 62 465.441 5 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-6,8-dichloro-9-isopentyloxyimino-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H (1R,4aS,9E,10aR)-6,8-dichloro-9-…

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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) 7.50 14.97 -57.32 0 4 -1 62 467.457 6 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-6-bromo-7-isopropyl-9-methoxyimino-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthr (1R,4aS,9E,10aR)-6-bromo-7-isopr…

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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) 5.37 11.6 -53.34 0 4 -1 62 421.355 3 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-9-allyloxyimino-6-bromo-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanth (1R,4aS,9E,10aR)-9-allyloxyimino…

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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) 6.02 13.14 -53.82 0 4 -1 62 447.393 5 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-9-hydroxyimino-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-ca (1R,4aS,9E,10aR)-9-hydroxyimino-…

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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) 4.83 8.91 -59.27 1 4 -1 73 328.432 2 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-6,8-dichloro-9-heptoxyimino-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phen (1R,4aS,9E,10aR)-6,8-dichloro-9-…

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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) 8.59 16.8 -57.09 0 4 -1 62 495.511 9 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-9-benzyloxyimino-6,8-dichloro-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-ph (1R,4aS,9E,10aR)-9-benzyloxyimin…

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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) 7.44 15.93 -58.97 0 4 -1 62 487.447 5 ↓

Analogs

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Popular Name: (1S,4aS,9E,10aR)-1,4a-dimethyl-6-(3-phenylpropoxy)-9-prop-2-ynoxyimino-3,4,10,10a-tetrahydro-2H-phen (1S,4aS,9E,10aR)-1,4a-dimethyl-6…

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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) 6.13 15.35 -47.93 0 5 -1 71 458.578 8 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-6,8-dichloro-9-(cyclopropylmethoxyimino)-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetra (1R,4aS,9E,10aR)-6,8-dichloro-9-…

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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) 6.72 14.47 -57.69 0 4 -1 62 451.414 5 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-6,8-dichloro-9-(cyclohexylmethoxyimino)-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrah (1R,4aS,9E,10aR)-6,8-dichloro-9-…

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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) 8.13 16.26 -57.82 0 4 -1 62 493.495 5 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-6,8-dichloro-9-ethoxyimino-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phena (1R,4aS,9E,10aR)-6,8-dichloro-9-…

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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) 6.22 12.89 -56.99 0 4 -1 62 425.376 4 ↓

Analogs

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Popular Name: (1R,4aS,9E,10aR)-5,6,8-trichloro-7-isopropyl-9-methoxyimino-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-p (1R,4aS,9E,10aR)-5,6,8-trichloro…

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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) 6.45 12.06 -50.88 0 4 -1 62 445.794 3 ↓

Analogs

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Popular Name: (1S,4aS,9E,10aR)-1,4a-dimethyl-6-(3-phenylpropoxy)-9-(3-phenylpropoxyimino)-3,4,10,10a-tetrahydro-2H (1S,4aS,9E,10aR)-1,4a-dimethyl-6…

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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) 8.26 19.41 -47.84 0 5 -1 71 538.708 11 ↓

Analogs

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Popular Name: (1S,4aS,9Z,10S,10aR)-10-hydroxy-9-methoxyimino-1,4a-dimethyl-6-(3-phenylpropoxy)-3,4,10,10a-tetrahyd (1S,4aS,9Z,10S,10aR)-10-hydroxy-…

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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) 5.06 12.36 -45.99 1 6 -1 91 450.555 7 ↓

Analogs

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Popular Name: (1S,4aS,9Z,10R,10aR)-10-hydroxy-9-methoxyimino-1,4a-dimethyl-6-(3-phenylpropoxy)-3,4,10,10a-tetrahyd (1S,4aS,9Z,10R,10aR)-10-hydroxy-…

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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) 5.06 12.33 -47.69 1 6 -1 91 450.555 7 ↓

Parameters Provided:

ring.id = 366688
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 = 366688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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