UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide 4-nitro-N-(3-pyrrolidin-1-ylprop…

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) 1.67 5.39 -48.49 2 7 1 96 314.387 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methylsulfanyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide 4-methylsulfanyl-N-(3-pyrrolidin…

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) 2.14 5.74 -44.54 2 4 1 51 315.484 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide 2-methyl-5-nitro-N-(3-pyrrolidin…

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) 2.05 6.18 -50.51 2 7 1 96 328.414 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dichloro-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide 2,3-dichloro-4-methoxy-N-(3-pyrr…

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) 2.98 4.59 -42.42 2 5 1 60 368.306 7 ↓

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) 1.15 5.95 -54.3 2 8 1 97 412.532 9 ↓
Hi High (pH 8-9.5) 1.15 3.71 -20.21 1 8 0 96 411.524 9 ↓

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) 1.15 6.24 -49.23 2 8 1 97 412.532 9 ↓
Hi High (pH 8-9.5) 1.15 4.33 -19.87 1 8 0 96 411.524 9 ↓

Analogs

37993251
37993251

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dibromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide 2,4-dibromo-N-(3-pyrrolidin-1-yl…

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) 3.26 6.11 -41.67 2 4 1 51 427.182 6 ↓

Analogs

41684992
41684992
37993252
37993252

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide 2-bromo-4-fluoro-N-(3-pyrrolidin…

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) 2.61 5.56 -42.03 2 4 1 51 366.276 6 ↓

Parameters Provided:

ring.id = 149634
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 = 149634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=149634&filter.purchasability=annotated

Embed Link to Results