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Analogs

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Popular Name: 2-hydroxy-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-5,7,8,9-tetrahydrophenanthridin-10-one 2-hydroxy-6,6-dimethyl-3-[(1S)-1…

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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) 5.65 11.41 -13.48 2 3 0 49 389.539 5 ↓

Analogs

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Popular Name: 2-hydroxy-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-5,7,8,9-tetrahydrophenanthridin-10-one 2-hydroxy-6,6-dimethyl-3-[(1R)-1…

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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) 5.65 11.42 -13.45 2 3 0 49 389.539 5 ↓

Analogs

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Popular Name: [6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-10-oxo-5,7,8,9-tetrahydrophenanthridin-2-yl] [6,6-dimethyl-3-[(1S)-1-methyl-4…

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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) 5.22 15.35 -18.25 1 4 0 55 431.576 7 ↓

Analogs

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Popular Name: [6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-10-oxo-5,7,8,9-tetrahydrophenanthridin-2-yl] [6,6-dimethyl-3-[(1R)-1-methyl-4…

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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) 5.22 15.35 -18.4 1 4 0 55 431.576 7 ↓

Analogs

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Popular Name: 2-hydroxy-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-10-oxo-8,9-dihydro-7H-phenanthridine-5-carba 2-hydroxy-6,6-dimethyl-3-[(1S)-1…

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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) 5.28 12.33 -18.75 1 4 0 58 417.549 5 ↓

Analogs

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Popular Name: 2-hydroxy-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-10-oxo-8,9-dihydro-7H-phenanthridine-5-carba 2-hydroxy-6,6-dimethyl-3-[(1R)-1…

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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) 5.28 12.33 -18.77 1 4 0 58 417.549 5 ↓

Analogs

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Popular Name: 2-hydroxy-5,6,6-trimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-8,9-dihydro-7H-phenanthridin-10-one 2-hydroxy-5,6,6-trimethyl-3-[(1S…

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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) 5.90 12.9 -13.59 1 3 0 41 403.566 5 ↓

Analogs

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Popular Name: 2-hydroxy-5,6,6-trimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-8,9-dihydro-7H-phenanthridin-10-one 2-hydroxy-5,6,6-trimethyl-3-[(1R…

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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) 5.90 12.91 -13.51 1 3 0 41 403.566 5 ↓

Analogs

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Popular Name: [5-benzoyl-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-10-oxo-8,9-dihydro-7H-phenanthridin-2-yl] [5-benzoyl-6,6-dimethyl-3-[(1S)-…

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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) 6.50 19.12 -17 0 5 0 64 535.684 8 ↓

Analogs

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Popular Name: [5-benzoyl-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-10-oxo-8,9-dihydro-7H-phenanthridin-2-yl] [5-benzoyl-6,6-dimethyl-3-[(1R)-…

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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) 6.50 18.82 -15.81 0 5 0 64 535.684 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.87 16.94 -16.86 1 5 0 67 517.71 12 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.87 16.94 -16.87 1 5 0 67 517.71 12 ↓

Analogs

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Popular Name: (6R)-2-hydroxy-6-methyl-3-[(1S)-1-methyl-4-phenyl-butyl]-6,7,8,9-tetrahydro-5H-phenanthridin-10-one (6R)-2-hydroxy-6-methyl-3-[(1S)-…

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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) 5.84 10.93 -13.69 2 3 0 49 375.512 5 ↓

Analogs

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Popular Name: (6S)-2-hydroxy-6-methyl-3-[(1S)-1-methyl-4-phenyl-butyl]-6,7,8,9-tetrahydro-5H-phenanthridin-10-one (6S)-2-hydroxy-6-methyl-3-[(1S)-…

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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) 5.84 10.94 -13.93 2 3 0 49 375.512 5 ↓

Analogs

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Popular Name: (6R)-2-hydroxy-6-methyl-3-[(1R)-1-methyl-4-phenyl-butyl]-6,7,8,9-tetrahydro-5H-phenanthridin-10-one (6R)-2-hydroxy-6-methyl-3-[(1R)-…

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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) 5.84 10.93 -13.73 2 3 0 49 375.512 5 ↓

Analogs

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Popular Name: (6S)-2-hydroxy-6-methyl-3-[(1R)-1-methyl-4-phenyl-butyl]-6,7,8,9-tetrahydro-5H-phenanthridin-10-one (6S)-2-hydroxy-6-methyl-3-[(1R)-…

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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) 5.84 10.94 -13.99 2 3 0 49 375.512 5 ↓

Parameters Provided:

ring.id = 197089
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 = 197089 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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