UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42463587
42463587
42463588
42463588
42463745
42463745
42463746
42463746
42467623
42467623

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Popular Name: (2R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-[(2S,6S)-2,6-dimethylmorp…

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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) 0.19 0.97 -47.74 3 4 1 49 229.344 3 ↓
Lo Low (pH 4.5-6) 0.19 1.94 -130.45 4 4 2 51 230.352 3 ↓

Analogs

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Popular Name: N-[(2S)-2-morpholino-2-[(3S)-tetrahydrofuran-3-yl]ethyl]-3-ureido-propanamide N-[(2S)-2-morpholino-2-[(3S)-tet…

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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) -0.90 -4.51 -19.11 4 8 0 106 314.386 7 ↓
Lo Low (pH 4.5-6) -0.90 -1.48 -57.34 5 8 1 107 315.394 7 ↓

Analogs

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Popular Name: N-[(2S)-2-morpholino-2-[(3R)-tetrahydrofuran-3-yl]ethyl]-3-ureido-propanamide N-[(2S)-2-morpholino-2-[(3R)-tet…

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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) -0.90 -4.11 -18.52 4 8 0 106 314.386 7 ↓
Lo Low (pH 4.5-6) -0.90 -2.15 -58.53 5 8 1 107 315.394 7 ↓

Analogs

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Popular Name: N-[(2R)-2-morpholino-2-[(3S)-tetrahydrofuran-3-yl]ethyl]-3-ureido-propanamide N-[(2R)-2-morpholino-2-[(3S)-tet…

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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) -0.90 -4.4 -19.21 4 8 0 106 314.386 7 ↓
Lo Low (pH 4.5-6) -0.90 -2.14 -58.52 5 8 1 107 315.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-morpholino-2-[(3R)-tetrahydrofuran-3-yl]ethyl]-3-ureido-propanamide N-[(2R)-2-morpholino-2-[(3R)-tet…

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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) -0.90 -3.25 -21.43 4 8 0 106 314.386 7 ↓
Lo Low (pH 4.5-6) -0.90 -1.09 -57.72 5 8 1 107 315.394 7 ↓

Analogs

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Popular Name: 1,2-dimethyl-3-[(2R)-2-morpholino-2-[(3S)-tetrahydrofuran-3-yl]ethyl]guanidine 1,2-dimethyl-3-[(2R)-2-morpholin…

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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) 0.14 1.85 -32.84 3 6 1 60 271.385 6 ↓
Mid Mid (pH 6-8) 0.14 3.1 -100.82 4 6 2 61 272.393 6 ↓
Mid Mid (pH 6-8) 0.14 3.78 -100.4 4 6 2 61 272.393 6 ↓

Analogs

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Popular Name: 1,2-dimethyl-3-[(2S)-2-morpholino-2-[(3S)-tetrahydrofuran-3-yl]ethyl]guanidine 1,2-dimethyl-3-[(2S)-2-morpholin…

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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) 0.14 0.99 -29.34 3 6 1 60 271.385 6 ↓
Mid Mid (pH 6-8) 0.14 3.05 -96.38 4 6 2 61 272.393 6 ↓
Mid Mid (pH 6-8) 0.14 3.69 -96.8 4 6 2 61 272.393 6 ↓

Analogs

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Popular Name: 1,2-dimethyl-3-[(2R)-2-morpholino-2-[(3R)-tetrahydrofuran-3-yl]ethyl]guanidine 1,2-dimethyl-3-[(2R)-2-morpholin…

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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) 0.14 1.09 -31.57 3 6 1 60 271.385 6 ↓
Mid Mid (pH 6-8) 0.14 3.97 -97.82 4 6 2 61 272.393 6 ↓

Analogs

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Popular Name: 1,2-dimethyl-3-[(2S)-2-morpholino-2-[(3R)-tetrahydrofuran-3-yl]ethyl]guanidine 1,2-dimethyl-3-[(2S)-2-morpholin…

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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) 0.14 1.21 -33.82 3 6 1 60 271.385 6 ↓
Mid Mid (pH 6-8) 0.14 3.22 -102.09 4 6 2 61 272.393 6 ↓

Analogs

35783229
35783229
35783231
35783231

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Popular Name: (2R)-2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-[(2R,5R)-5-ethyl-2-methyl…

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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) 0.70 1.29 -47.92 3 4 1 49 243.371 4 ↓
Lo Low (pH 4.5-6) 0.70 2.2 -128.42 4 4 2 51 244.379 4 ↓

Analogs

35783229
35783229
35783231
35783231

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Popular Name: (2R)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-[(2R,5S)-5-ethyl-2-methyl…

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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) 0.70 0.95 -47.51 3 4 1 49 243.371 4 ↓
Lo Low (pH 4.5-6) 0.70 2.84 -121.4 4 4 2 51 244.379 4 ↓

Analogs

35783229
35783229
35783231
35783231

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-[(2S,5R)-5-ethyl-2-methyl…

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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) 0.70 1.02 -47.84 3 4 1 49 243.371 4 ↓
Lo Low (pH 4.5-6) 0.70 2.24 -130.15 4 4 2 51 244.379 4 ↓

Analogs

35783229
35783229
35783231
35783231

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-[(2S,5S)-5-ethyl-2-methyl…

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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) 0.70 1.22 -47.44 3 4 1 49 243.371 4 ↓
Lo Low (pH 4.5-6) 0.70 2.8 -121.68 4 4 2 51 244.379 4 ↓

Analogs

35774491
35774491
35774493
35774493

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 0.28 -1.49 -48.53 3 4 1 49 229.344 3 ↓
Lo Low (pH 4.5-6) 0.28 0.92 -116.7 4 4 2 51 230.352 3 ↓

Analogs

35774491
35774491
35774493
35774493

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 0.28 -0.59 -45.28 3 4 1 49 229.344 3 ↓
Lo Low (pH 4.5-6) 0.28 1.16 -121.05 4 4 2 51 230.352 3 ↓

Parameters Provided:

ring.id = 106930
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 = 106930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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