UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3R)-1,1-dioxothiolan…

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) -0.30 3.94 -62.41 0 6 -1 95 320.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3R)-1,1-dioxothiolan…

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) -0.30 4.05 -64.55 0 6 -1 95 320.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3S)-1,1-dioxothiolan…

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) -0.30 3.95 -63.04 0 6 -1 95 320.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3S)-1,1-dioxothiolan…

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) -0.30 4.04 -66.41 0 6 -1 95 320.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3R)-1,1-dioxothiolan…

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 4.5 -56.52 0 6 -1 95 334.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3R)-1,1-dioxothiolan…

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 4.53 -63.83 0 6 -1 95 334.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3S)-1,1-dioxothiolan…

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 4.5 -57.03 0 6 -1 95 334.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3S)-1,1-dioxothiolan…

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 4.53 -65.78 0 6 -1 95 334.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-[(3R)-1,1-dioxothio…

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) -0.38 4.27 -65.16 0 6 -1 95 320.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-[(3R)-1,1-dioxothio…

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) -0.38 4.3 -65 0 6 -1 95 320.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-[(3S)-1,1-dioxothio…

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) -0.38 4.28 -66.15 0 6 -1 95 320.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-[(3S)-1,1-dioxothio…

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) -0.38 4.29 -66.35 0 6 -1 95 320.412 5 ↓

Analogs

42434017
42434017
42434018
42434018
42434019
42434019

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3R)-1,1-dioxothiolan-3-yl]su…

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 0.52 -19.54 1 5 0 75 293.41 4 ↓

Analogs

42434018
42434018
42434019
42434019
42434016
42434016

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3R)-1,1-dioxothiolan-3-yl]su…

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 0.52 -19.3 1 5 0 75 293.41 4 ↓

Analogs

42434019
42434019
42434016
42434016
42434017
42434017

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3S)-1,1-dioxothiolan-3-yl]su…

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 0.53 -20.24 1 5 0 75 293.41 4 ↓

Analogs

42434016
42434016
42434017
42434017
42434018
42434018

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3S)-1,1-dioxothiolan-3-yl]su…

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 0.53 -20.35 1 5 0 75 293.41 4 ↓

Parameters Provided:

ring.id = 307299
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 = 307299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=307299&filter.purchasability=annotated

Embed Link to Results