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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45618981
45618981

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Popular Name: [(2R)-3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]BLAHone [(2R)-3-(2,5-dichlorophenoxy)-2-…

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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) 3.79 8.53 -19.51 1 5 0 64 411.31 5 ↓

Analogs

45618978
45618978

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Popular Name: [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]BLAHone [(2S)-3-(2,5-dichlorophenoxy)-2-…

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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) 3.79 9.43 -17.63 1 5 0 64 411.31 5 ↓

Analogs

45618996
45618996

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Popular Name: 2-[4-[(2R)-2-hydroxy-3-(oxoBLAHyl)propoxy]phenyl]acetonitrile 2-[4-[(2R)-2-hydroxy-3-(oxoBLAHy…

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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) 2.47 8.63 -24.83 1 6 0 88 381.457 6 ↓

Analogs

45618993
45618993

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Popular Name: 2-[4-[(2S)-2-hydroxy-3-(oxoBLAHyl)propoxy]phenyl]acetonitrile 2-[4-[(2S)-2-hydroxy-3-(oxoBLAHy…

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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) 2.47 9.53 -22.96 1 6 0 88 381.457 6 ↓

Analogs

45619100
45619100

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Popular Name: [(2R)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]BLAHone [(2R)-3-(4-chloro-2-isopropyl-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) 4.53 10.56 -19.04 1 5 0 64 432.973 6 ↓

Analogs

45619097
45619097

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Popular Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]BLAHone [(2S)-3-(4-chloro-2-isopropyl-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) 4.53 11.46 -17.23 1 5 0 64 432.973 6 ↓

Analogs

45619339
45619339
14202426
14202426
14202427
14202427

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Popular Name: [(2R)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]BLAHone [(2R)-3-(2,4-dimethylphenoxy)-2-…

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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) 3.33 8.87 -19.29 1 5 0 64 370.474 5 ↓

Analogs

45619336
45619336
14202426
14202426
14202427
14202427

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Popular Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]BLAHone [(2S)-3-(2,4-dimethylphenoxy)-2-…

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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) 3.33 9.77 -17.38 1 5 0 64 370.474 5 ↓

Analogs

14249216
14249216
14159889
14159889
14159892
14159892

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Popular Name: [(2S)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]BLAHone [(2S)-3-(4-ethoxyphenoxy)-2-hydr…

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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) 2.94 8.57 -18.66 1 6 0 74 386.473 7 ↓

Analogs

14249214
14249214
14159889
14159889

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Popular Name: [(2R)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]BLAHone [(2R)-3-(4-ethoxyphenoxy)-2-hydr…

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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) 2.94 8.46 -18.97 1 6 0 74 386.473 7 ↓

Parameters Provided:

ring.id = 16698
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 = 16698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=16698&filter.purchasability=annotated

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