UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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) 2.86 6.04 -84.25 3 10 0 137 487.944 8 ↓
Mid Mid (pH 6-8) 2.40 7.92 -59.08 4 10 1 134 488.952 8 ↓

Analogs

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) 2.86 6.06 -85.28 3 10 0 137 487.944 8 ↓
Mid Mid (pH 6-8) 2.40 7.92 -61.52 4 10 1 134 488.952 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 6.70 8.5 -51.02 1 10 -1 121 529.017 9 ↓
Mid Mid (pH 6-8) 6.24 10.67 -13.95 2 10 0 118 530.025 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 6.70 8.53 -50.67 1 10 -1 121 529.017 9 ↓
Mid Mid (pH 6-8) 6.24 10.68 -13.86 2 10 0 118 530.025 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic 1-[2-(4-butoxyphenyl)pyrazolo[1,…

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) 4.01 11.62 -49.45 0 7 -1 83 393.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-4-piperidinecarboxylic acid 1-[2-(2-methylphenyl)pyrazolo[1,…

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) 2.91 10.53 -50.15 0 6 -1 74 335.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazine 4-chloro-2-(2,5-dimethylphenyl)p…

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) 3.90 7.78 -7.33 0 3 0 30 257.724 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazine 4-Chloro-2-(3-chlorophenyl)pyraz…

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) 3.72 6.95 -7.08 0 3 0 30 264.115 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethoxyphenyl)-4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-meth 2-(2,4-dimethoxyphenyl)-4-[[2-(2…

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) 6.12 11.02 -14.83 0 7 0 75 486.597 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethoxyphenyl)-4-[[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-meth 2-(2,4-dimethoxyphenyl)-4-[[2-(2…

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) 6.12 11.02 -14.94 0 7 0 75 486.597 7 ↓

Parameters Provided:

ring.id = 195625
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 = 195625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=195625&filter.purchasability=annotated

Embed Link to Results