UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33767213
33767213
34702173
34702173
4916140
4916140
4929635
4929635

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Popular Name: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazine-2-carboxamide N-[[(2R)-4-benzylmorpholin-2-yl]…

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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) 0.93 2.25 -9.96 1 6 0 67 312.373 5 ↓
Lo Low (pH 4.5-6) 0.93 4.59 -47.15 2 6 1 69 313.381 5 ↓

Analogs

33767213
33767213
34702173
34702173
4916140
4916140
4929635
4929635

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]pyrazine-2-carboxamide N-[[(2S)-4-benzylmorpholin-2-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) 0.93 1.94 -10.52 1 6 0 67 312.373 5 ↓
Lo Low (pH 4.5-6) 0.93 4.33 -51.74 2 6 1 69 313.381 5 ↓

Analogs

33767213
33767213
34702173
34702173
4916140
4916140
692663
692663
692696
692696

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-5-methyl-pyrazine-2-carboxamide N-[[(2R)-4-benzylmorpholin-2-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) 1.15 2.83 -9.76 1 6 0 67 326.4 5 ↓
Lo Low (pH 4.5-6) 1.15 5.18 -47.01 2 6 1 69 327.408 5 ↓

Analogs

33767213
33767213
34702173
34702173
4916140
4916140
692663
692663
692696
692696

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methyl-pyrazine-2-carboxamide N-[[(2S)-4-benzylmorpholin-2-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) 1.15 2.53 -10.26 1 6 0 67 326.4 5 ↓
Lo Low (pH 4.5-6) 1.15 4.92 -51.57 2 6 1 69 327.408 5 ↓

Analogs

700113
700113
700114
700114
700115
700115

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Popular Name: 3-amino-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazine-2-carboxamide 3-amino-N-[[(2R)-4-benzylmorphol…

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 0.83 -9.44 3 7 0 93 327.388 5 ↓
Lo Low (pH 4.5-6) 0.53 3.22 -50.29 4 7 1 95 328.396 5 ↓

Analogs

700113
700113
700114
700114
700115
700115

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]pyrazine-2-carboxamide 3-amino-N-[[(2S)-4-benzylmorphol…

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 0.89 -9.34 3 7 0 93 327.388 5 ↓
Lo Low (pH 4.5-6) 0.53 3.28 -50.25 4 7 1 95 328.396 5 ↓

Parameters Provided:

ring.id = 103507
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 = 103507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=103507&filter.purchasability=annotated

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