UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2786931
2786931

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Popular Name: (3,4-dichlorophenoxy)methylBLAH (3,4-dichlorophenoxy)methylBLAH

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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) 4.63 11.65 -11.19 0 5 0 52 391.283 3 ↓

Analogs

4155112
4155112
4155115
4155115
1763237
1763237
2785026
2785026

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Popular Name: (4-chloro-3,5-dimethyl-phenoxy)methylBLAH (4-chloro-3,5-dimethyl-phenoxy)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) 4.78 12.35 -10.65 0 5 0 52 384.892 3 ↓

Analogs

2790251
2790251
2790252
2790252
2790335
2790335
2790336
2790336

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Popular Name: [(1S)-1-(2-nitrophenoxy)ethyl]BLAH [(1S)-1-(2-nitrophenoxy)ethyl]BLAH

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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) 3.62 0.59 -19.21 0 8 0 98 381.417 4 ↓

Analogs

2790251
2790251
2790252
2790252
2790335
2790335
2790336
2790336

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Popular Name: [(1R)-1-(2-nitrophenoxy)ethyl]BLAH [(1R)-1-(2-nitrophenoxy)ethyl]BLAH

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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) 3.62 12.52 -19.26 0 8 0 98 381.417 4 ↓

Analogs

2790251
2790251
2790252
2790252
2790335
2790335
2790336
2790336
4155115
4155115

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Popular Name: (2-nitrophenoxy)methylBLAH (2-nitrophenoxy)methylBLAH

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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) 3.25 0.36 -20.62 0 8 0 98 367.39 4 ↓

Analogs

545687
545687
894775
894775

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Popular Name: 4-[(1S)-1-BLAHylethoxy]benzonitrile 4-[(1S)-1-BLAHylethoxy]benzonitrile

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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) 3.46 1.01 -12.5 0 6 0 76 361.43 3 ↓

Analogs

545687
545687
894775
894775

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Popular Name: 4-[(1R)-1-BLAHylethoxy]benzonitrile 4-[(1R)-1-BLAHylethoxy]benzonitrile

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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) 3.46 1.01 -12.53 0 6 0 76 361.43 3 ↓

Analogs

2790251
2790251
2790252
2790252
4155115
4155115
545687
545687
846170
846170

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Popular Name: (4-nitrophenoxy)methylBLAH (4-nitrophenoxy)methylBLAH

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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) 3.30 -0.1 -13.82 0 8 0 98 367.39 4 ↓

Analogs

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Popular Name: (2,4-difluorophenoxy)methylBLAH (2,4-difluorophenoxy)methylBLAH

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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) 3.60 0.86 -13.06 0 5 0 52 358.373 3 ↓

Analogs

2789799
2789799
2789800
2789800
545687
545687
784686
784686

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Popular Name: (4-methoxyphenoxy)methylBLAH (4-methoxyphenoxy)methylBLAH

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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) 3.40 -0.62 -12.03 0 6 0 61 352.419 4 ↓

Parameters Provided:

ring.id = 235082
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 = 235082 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=235082&filter.purchasability=annotated

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