UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45619254
45619254

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.81 5.86 -13.39 1 7 0 93 361.394 7 ↓

Analogs

45619251
45619251

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.81 5.91 -13.39 1 7 0 93 361.394 7 ↓

Analogs

14235880
14235880

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(3-bromophenoxy)-2-hydroxy-propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2R)-3-(3-bromophenoxy)-2-hyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.42 5.8 -10.15 1 5 0 67 382.254 5 ↓

Analogs

14235876
14235876

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2S)-3-(3-bromophenoxy)-2-hyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.42 5.91 -10.25 1 5 0 67 382.254 5 ↓

Analogs

14235887
14235887
24210652
24210652
24210658
24210658

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2S)-2-hydroxy-3-(4-propanoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.04 6.53 -15.53 1 6 0 84 359.422 7 ↓

Analogs

24210652
24210652
24210658
24210658
14235883
14235883

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2R)-2-hydroxy-3-(4-propanoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.04 6.45 -15.46 1 6 0 84 359.422 7 ↓

Analogs

14253987
14253987

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2R)-3-(2,4-dichlorophenoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.92 6.29 -11.85 1 5 0 67 372.248 5 ↓

Analogs

14253984
14253984

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2S)-3-(2,4-dichlorophenoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.92 6.35 -11.63 1 5 0 67 372.248 5 ↓

Analogs

14253993
14253993
24101849
24101849
24101851
24101851

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2S)-2-hydroxy-3-(4-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.69 4.54 -12.04 1 6 0 76 333.384 6 ↓

Analogs

24101849
24101849
24101851
24101851
14253990
14253990

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[(2R)-2-hydroxy-3-(4-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.69 4.46 -11.96 1 6 0 76 333.384 6 ↓

Parameters Provided:

ring.id = 16904
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 = 16904 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16904&filter.purchasability=annotated

Embed Link to Results