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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (6R,10R)-6-methyl-3-[(1S)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridine-2,10-diol (6R,10R)-6-methyl-3-[(1S)-1-meth…

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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) 6.03 8.71 -8.28 3 3 0 52 377.528 5 ↓
Lo Low (pH 4.5-6) 6.03 9.23 -40.24 4 3 1 57 378.536 5 ↓

Analogs

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Popular Name: (6S,10R)-6-methyl-3-[(1S)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridine-2,10-diol (6S,10R)-6-methyl-3-[(1S)-1-meth…

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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) 6.03 8.92 -8.29 3 3 0 52 377.528 5 ↓
Lo Low (pH 4.5-6) 6.03 9.12 -42.32 4 3 1 57 378.536 5 ↓

Analogs

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Popular Name: (6R,10R)-6-methyl-3-[(1R)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridine-2,10-diol (6R,10R)-6-methyl-3-[(1R)-1-meth…

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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) 6.03 8.71 -8.41 3 3 0 52 377.528 5 ↓
Lo Low (pH 4.5-6) 6.03 9.23 -40.44 4 3 1 57 378.536 5 ↓

Analogs

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Popular Name: (6S,10R)-6-methyl-3-[(1R)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridine-2,10-diol (6S,10R)-6-methyl-3-[(1R)-1-meth…

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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) 6.03 8.92 -8.33 3 3 0 52 377.528 5 ↓
Lo Low (pH 4.5-6) 6.03 9.12 -42.47 4 3 1 57 378.536 5 ↓

Analogs

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Popular Name: (10S)-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-7,8,9,10-tetrahydro-5H-phenanthridine-2,10-diol (10S)-6,6-dimethyl-3-[(1S)-1-met…

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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 9.13 -8.4 3 3 0 52 391.555 5 ↓
Lo Low (pH 4.5-6) 5.84 9.38 -38.44 4 3 1 57 392.563 5 ↓

Analogs

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Popular Name: (10S)-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-7,8,9,10-tetrahydro-5H-phenanthridine-2,10-diol (10S)-6,6-dimethyl-3-[(1R)-1-met…

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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 9.13 -8.33 3 3 0 52 391.555 5 ↓
Lo Low (pH 4.5-6) 5.84 9.38 -38.3 4 3 1 57 392.563 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-7,8,9,10-tetrahydro-5H-phenanthridine-2,10-diol (10R)-6,6-dimethyl-3-[(1S)-1-met…

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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 9.39 -8.74 3 3 0 52 391.555 5 ↓
Lo Low (pH 4.5-6) 5.84 9.54 -39.08 4 3 1 57 392.563 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-7,8,9,10-tetrahydro-5H-phenanthridine-2,10-diol (10R)-6,6-dimethyl-3-[(1R)-1-met…

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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 9.39 -8.6 3 3 0 52 391.555 5 ↓
Lo Low (pH 4.5-6) 5.84 9.54 -38.85 4 3 1 57 392.563 5 ↓

Analogs

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Popular Name: 3-[(S)-5-cyclohexylpentylsulfinyl]-6,6-diethyl-7,8,9,10-tetrahydro-5H-phenanthridin-2-ol 3-[(S)-5-cyclohexylpentylsulfiny…

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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) 7.55 12.47 -12.57 2 3 0 49 457.724 9 ↓

Analogs

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Popular Name: 3-[(R)-5-cyclohexylpentylsulfinyl]-6,6-diethyl-7,8,9,10-tetrahydro-5H-phenanthridin-2-ol 3-[(R)-5-cyclohexylpentylsulfiny…

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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) 7.55 14.01 -13.77 2 3 0 49 457.724 9 ↓

Analogs

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Popular Name: (6R)-6-methyl-3-[(1S)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridin-2-ol (6R)-6-methyl-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) 7.18 11.7 -5.95 2 2 0 32 361.529 5 ↓
Lo Low (pH 4.5-6) 7.18 12.12 -38.9 3 2 1 37 362.537 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-3-[(1S)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridin-2-ol (6S)-6-methyl-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) 7.18 11.74 -5.82 2 2 0 32 361.529 5 ↓
Lo Low (pH 4.5-6) 7.18 12.02 -40.64 3 2 1 37 362.537 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-methyl-3-[(1R)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridin-2-ol (6R)-6-methyl-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) 7.18 11.7 -6.08 2 2 0 32 361.529 5 ↓
Lo Low (pH 4.5-6) 7.18 12.12 -39.1 3 2 1 37 362.537 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-3-[(1R)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridin-2-ol (6S)-6-methyl-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) 7.18 11.74 -5.9 2 2 0 32 361.529 5 ↓
Lo Low (pH 4.5-6) 7.18 12.02 -40.8 3 2 1 37 362.537 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 6.18 11.1 -6.07 2 2 0 32 347.502 5 ↓
Lo Low (pH 4.5-6) 6.18 11.61 -42.88 3 2 1 37 348.51 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 6.18 11.1 -6 2 2 0 32 347.502 5 ↓
Lo Low (pH 4.5-6) 6.18 11.61 -42.75 3 2 1 37 348.51 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.03 8.07 -8.45 3 3 0 52 363.501 5 ↓
Lo Low (pH 4.5-6) 5.03 8.47 -44.23 4 3 1 57 364.509 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-3-[(1R)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridine-2,10-diol (10S)-3-[(1R)-1-methyl-4-phenyl-…

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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) 5.03 8.07 -8.45 3 3 0 52 363.501 5 ↓
Lo Low (pH 4.5-6) 5.03 8.47 -44.24 4 3 1 57 364.509 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-3-[(1S)-1-methyl-4-phenyl-butyl]-5,6,7,8,9,10-hexahydrophenanthridine-2,10-diol (10R)-3-[(1S)-1-methyl-4-phenyl-…

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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) 5.03 8.23 -8.7 3 3 0 52 363.501 5 ↓
Lo Low (pH 4.5-6) 5.03 8.71 -44.68 4 3 1 57 364.509 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.03 8.23 -8.72 3 3 0 52 363.501 5 ↓
Lo Low (pH 4.5-6) 5.03 8.71 -44.47 4 3 1 57 364.509 5 ↓

Parameters Provided:

ring.id = 197092
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 = 197092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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