UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42811385
42811385
42811389
42811389
43423311
43423311
43423312
43423312
43423313
43423313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) 0.83 4 -7.64 3 5 0 69 263.341 4 ↓

Analogs

42811385
42811385
42811389
42811389
43423311
43423311
43423312
43423312
43423313
43423313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) 0.83 3.49 -7.65 3 5 0 69 263.341 4 ↓

Analogs

42811385
42811385
42811389
42811389
43423311
43423311
43423312
43423312
43423313
43423313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) 0.83 3.44 -7.55 3 5 0 69 263.341 4 ↓

Analogs

42811385
42811385
42811389
42811389
43423311
43423311
43423312
43423312
43423313
43423313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) 0.83 4.02 -7.32 3 5 0 69 263.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-methyl-N…

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) 0.75 5.18 -11.64 2 5 0 61 263.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-methyl-N…

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) 0.75 4.55 -9.07 2 5 0 61 263.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-methyl-N…

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) 2.07 7.94 -10.04 0 4 0 34 327.222 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-methyl-N…

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) 2.07 7.3 -7.63 0 4 0 34 327.222 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-ethyl-N-…

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) 1.13 5.91 -11.49 2 5 0 61 277.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-ethyl-N-…

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) 1.13 5.39 -8.92 2 5 0 61 277.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-ethyl-N-…

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) 2.45 8.66 -9.85 0 4 0 34 341.249 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-ethyl-N-…

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) 2.45 8.12 -7.43 0 4 0 34 341.249 5 ↓

Parameters Provided:

ring.id = 112583
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 = 112583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=112583&filter.purchasability=annotated

Embed Link to Results