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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2S)-3-phenyl-N-(3-pyridylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-3-phenyl-N-(3-pyridylmethyl…

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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) 3.27 7.77 -14.99 2 6 0 88 437.565 8 ↓
Lo Low (pH 4.5-6) 3.27 8.21 -54.1 3 6 1 89 438.573 8 ↓

Analogs

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Popular Name: (2R)-3-phenyl-N-(3-pyridylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-3-phenyl-N-(3-pyridylmethyl…

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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) 3.27 7.66 -18 2 6 0 88 437.565 8 ↓
Lo Low (pH 4.5-6) 3.27 8.09 -53.82 3 6 1 89 438.573 8 ↓

Analogs

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Popular Name: (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(3-pyridylmethyl)propanamide (2S)-2-[(3,4-dimethoxyphenyl)sul…

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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) 1.71 5.27 -19.72 2 8 0 107 455.536 10 ↓
Lo Low (pH 4.5-6) 1.71 5.71 -59.34 3 8 1 108 456.544 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(3-pyridylmethyl)propanamide (2R)-2-[(3,4-dimethoxyphenyl)sul…

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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) 1.71 4.99 -22.52 2 8 0 107 455.536 10 ↓
Lo Low (pH 4.5-6) 1.71 5.42 -59.84 3 8 1 108 456.544 10 ↓

Analogs

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Popular Name: (2S)-2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-3-phenyl-N-(3-pyridylmethyl)propanamide (2S)-2-[(3-chloro-4-methoxy-phen…

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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) 2.73 5.91 -18.92 2 7 0 97 459.955 9 ↓
Lo Low (pH 4.5-6) 2.73 6.34 -59 3 7 1 99 460.963 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-3-phenyl-N-(3-pyridylmethyl)propanamide (2R)-2-[(3-chloro-4-methoxy-phen…

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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) 2.73 5.69 -21.08 2 7 0 97 459.955 9 ↓
Lo Low (pH 4.5-6) 2.73 6.12 -59.15 3 7 1 99 460.963 9 ↓

Analogs

25380190
25380190
25380196
25380196
25380201
25380201
25380207
25380207
25385910
25385910

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Popular Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(3-pyridylmethyl)propanamide (2S)-2-[(2-fluorophenyl)sulfonyl…

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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) 2.18 5.68 -17.51 2 6 0 88 413.474 8 ↓
Lo Low (pH 4.5-6) 2.18 6.12 -55.61 3 6 1 89 414.482 8 ↓

Analogs

25380190
25380190
25380196
25380196
25380201
25380201
25380207
25380207
25385910
25385910

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(3-pyridylmethyl)propanamide (2R)-2-[(2-fluorophenyl)sulfonyl…

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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) 2.18 5.67 -21.12 2 6 0 88 413.474 8 ↓
Lo Low (pH 4.5-6) 2.18 6.11 -54.54 3 6 1 89 414.482 8 ↓

Parameters Provided:

ring.id = 61422
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 = 61422 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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