UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)sulfonyl-1,4-diazepan-5-one 1-(2,4-dimethylphenyl)sulfonyl-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) 1.31 2.27 -12.92 1 5 0 66 282.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromo-2,6-dichloro-phenyl)sulfonyl-1,4-diazepan-5-one 1-(4-bromo-2,6-dichloro-phenyl)s…

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) 2.51 2.95 -9.95 1 5 0 66 402.097 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)sulfonyl-1,4-diazepan-5-one 1-(2,4-difluorophenyl)sulfonyl-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) 0.74 1.21 -11.6 1 5 0 66 290.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)sulfonyl-1,4-diazepan-5-one 1-(2-fluorophenyl)sulfonyl-1,4-d…

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) 0.60 1.14 -12.82 1 5 0 66 272.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-isopropylphenyl)sulfonyl-1,4-diazepan-5-one 1-(4-isopropylphenyl)sulfonyl-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) 2.00 3.16 -12.14 1 5 0 66 296.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)sulfonyl-1,4-diazepan-5-one 1-(2-methoxyphenyl)sulfonyl-1,4-…

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) 0.50 1.04 -13.9 1 6 0 76 284.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromo-4-methoxy-phenyl)sulfonyl-1,4-diazepan-5-one 1-(3-bromo-4-methoxy-phenyl)sulf…

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) 1.28 1.2 -13.86 1 6 0 76 363.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3,4-trifluorophenyl)sulfonyl-1,4-diazepan-5-one 1-(2,3,4-trifluorophenyl)sulfony…

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) 0.84 1.26 -13.18 1 5 0 66 308.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-5-one 1-(2,5-difluorophenyl)sulfonyl-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) 0.74 1.21 -12.29 1 5 0 66 290.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-5-one 1-(2,5-dimethoxyphenyl)sulfonyl-…

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) 0.53 0.34 -15.42 1 7 0 85 314.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)sulfonyl-1,4-diazepan-5-one 1-(4-ethylphenyl)sulfonyl-1,4-di…

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) 1.40 2.67 -12.32 1 5 0 66 282.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-1,4-diazepan-5-one 1-(5-bromo-2-methyl-phenyl)sulfo…

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) 1.68 2.24 -13.36 1 5 0 66 347.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide N-methyl-4-[(5-oxo-1,4-diazepan-…

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) -0.32 -0.49 -18.23 2 7 0 96 311.363 3 ↓

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) 0.64 1.86 -15.99 1 7 0 93 312.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-methyl-phenyl)sulfonyl-1,4-diazepan-5-one 1-(2-chloro-4-methyl-phenyl)sulf…

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) 1.54 2.16 -11.83 1 5 0 66 302.783 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-amino-3-fluoro-phenyl)sulfonyl-1,4-diazepan-5-one 1-(2-amino-3-fluoro-phenyl)sulfo…

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) 0.04 -0.37 -14.29 3 6 0 93 287.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-1,4-diazepan-5-one 1-(3-chloro-4-methoxy-phenyl)sul…

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 1.09 -13.97 1 6 0 76 318.782 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-1,4-diazepan-5-one 1-(3-fluoro-4-methoxy-phenyl)sul…

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) 0.64 0.6 -14.87 1 6 0 76 302.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methyl-4-nitro-phenyl)sulfonyl-1,4-diazepan-5-one 1-(2-methyl-4-nitro-phenyl)sulfo…

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) 0.83 2.32 -15.37 1 8 0 112 313.335 3 ↓

Parameters Provided:

ring.id = 154799
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 = 154799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=154799&filter.purchasability=annotated

Embed Link to Results