UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperidine-1-sulfonamide (3R)-3-methyl-N-[[(1R,2S)-2-meth…

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) 2.11 3.59 -8.46 1 4 0 49 246.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperidine-1-sulfonamide (3S)-3-methyl-N-[[(1R,2S)-2-meth…

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) 2.11 3.66 -9.08 1 4 0 49 246.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperidine-1-sulfonamide 4-methyl-N-[[(1R,2S)-2-methylcyc…

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) 2.11 3.49 -8.02 1 4 0 49 246.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]piperidine-1-sulfonamide 4-methyl-N-[[(1S,2S)-2-methylcyc…

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) 2.11 3.55 -7.97 1 4 0 49 246.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]piperidine-1-sulfonamide 4-methyl-N-[[(1R,2R)-2-methylcyc…

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) 2.11 3.56 -8.01 1 4 0 49 246.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]piperidine-1-sulfonamide 4-methyl-N-[[(1S,2R)-2-methylcyc…

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) 2.11 3.36 -7.22 1 4 0 49 246.376 4 ↓

Analogs

42997151
42997151

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperidine-1-sulfonamide (2S)-2-methyl-N-[[(1R,2S)-2-meth…

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) 2.19 3.95 -8.61 1 4 0 49 246.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(ethyl)sulfamoyl]piperidine-4-carboxylic 1-[cyclopropylmethyl(ethyl)sulfa…

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) 0.99 5.48 -52.35 0 6 -1 81 289.377 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(ethyl)sulfamoyl]piperidine-3-carboxylic (3S)-1-[cyclopropylmethyl(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) 0.99 5.3 -47.85 0 6 -1 81 289.377 6 ↓

Analogs

42584662
42584662

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[cyclopropylmethyl(ethyl)sulfamoyl]piperidine-2-carboxylic (2R)-1-[cyclopropylmethyl(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) -0.35 5.83 -52.1 0 6 -1 81 289.377 6 ↓

Analogs

42584662
42584662
37462550
37462550
37462547
37462547
37462545
37462545
20257746
20257746

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-2-carboxylic (2R)-1-[cyclopropylmethyl(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) -0.72 5.22 -52.72 0 6 -1 81 275.35 5 ↓

Analogs

259861
259861
20257723
20257723
20257724
20257724

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-4-carboxylic 1-[cyclopropylmethyl(methyl)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) 0.61 4.73 -52.54 0 6 -1 81 275.35 5 ↓

Analogs

20255161
20255161
20257737
20257737
4670192
4670192

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(methyl)sulfamoyl]piperidine-3-carboxylic (3S)-1-[cyclopropylmethyl(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) 0.61 4.63 -48.16 0 6 -1 81 275.35 5 ↓

Parameters Provided:

ring.id = 12470
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 = 12470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12470&filter.purchasability=annotated

Embed Link to Results