UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6S)-6-(3,4-dihydroxyphenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6S)-6-(3,4-dihydroxyphenyl)-6,8…

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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) 3.63 -3.58 -13.18 3 4 0 69 357.409 1 ↓

Analogs

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Popular Name: (6R)-6-(3,4-dihydroxyphenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6R)-6-(3,4-dihydroxyphenyl)-6,8…

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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) 3.63 -3.58 -11.96 3 4 0 69 357.409 1 ↓

Analogs

2798699
2798699

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Popular Name: (6S)-6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6S)-6-(3-bromo-5-ethoxy-4-hydro…

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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 10.3 -11.09 2 4 0 59 464.359 3 ↓

Analogs

2798698
2798698

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Popular Name: (6R)-6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6R)-6-(3-bromo-5-ethoxy-4-hydro…

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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 10.36 -11.06 2 4 0 59 464.359 3 ↓

Analogs

2798933
2798933

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Popular Name: (6S)-6-(3-bromo-4-methoxy-phenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6S)-6-(3-bromo-4-methoxy-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) 5.39 11.52 -10.42 1 3 0 38 434.333 2 ↓

Analogs

2798932
2798932

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Popular Name: (6R)-6-(3-bromo-4-methoxy-phenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6R)-6-(3-bromo-4-methoxy-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) 5.39 11 -11.39 1 3 0 38 434.333 2 ↓

Analogs

2799399
2799399

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Popular Name: 2-[2-[(6R)-7-keto-9,9-dimethyl-5,6,8,10-tetrahydrobenzo[c]phenanthridin-6-yl]phenoxy]acetonitrile 2-[2-[(6R)-7-keto-9,9-dimethyl-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) 5.04 1.78 -15.53 1 4 0 62 408.501 3 ↓

Analogs

2799398
2799398

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Popular Name: 2-[2-[(6S)-7-keto-9,9-dimethyl-5,6,8,10-tetrahydrobenzo[c]phenanthridin-6-yl]phenoxy]acetonitrile 2-[2-[(6S)-7-keto-9,9-dimethyl-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) 5.04 2.32 -11.92 1 4 0 62 408.501 3 ↓

Analogs

2799456
2799456

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Popular Name: (6S)-6-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6S)-6-(3-bromo-4-isopropoxy-5-m…

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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) 5.92 13.31 -11.28 1 4 0 48 492.413 4 ↓

Analogs

2799455
2799455

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Popular Name: (6R)-6-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6R)-6-(3-bromo-4-isopropoxy-5-m…

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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) 5.92 12.44 -11.1 1 4 0 48 492.413 4 ↓

Analogs

2799779
2799779
2779939
2779939

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Popular Name: (6R)-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9,9-dimethyl-5,6,8,10-tetrahydrobenzo[c]phenanthridin-7 (6R)-6-(3-chloro-4-hydroxy-5-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) 5.42 9.64 -11 2 4 0 59 433.935 2 ↓

Analogs

2779939
2779939
2799778
2799778

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Popular Name: (6S)-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9,9-dimethyl-5,6,8,10-tetrahydrobenzo[c]phenanthridin-7 (6S)-6-(3-chloro-4-hydroxy-5-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) 5.42 9.64 -10.97 2 4 0 59 433.935 2 ↓

Analogs

2799785
2799785

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Popular Name: (6S)-6-(3,4-dimethoxyphenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6S)-6-(3,4-dimethoxyphenyl)-6,8…

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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) 4.24 0.32 -12.73 1 4 0 47 385.463 3 ↓

Analogs

2799784
2799784

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Popular Name: (6R)-6-(3,4-dimethoxyphenyl)-6,8,9,10-tetrahydro-5H-benzo[c]phenanthridin-7-one (6R)-6-(3,4-dimethoxyphenyl)-6,8…

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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) 4.24 0.33 -12.71 1 4 0 47 385.463 3 ↓

Parameters Provided:

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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 = 222969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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