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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: 3-(4-aminophenyl)-N-[(3R)-1,1-dioxothian-3-yl]propanamide 3-(4-aminophenyl)-N-[(3R)-1,1-di…

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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) 0.61 1.7 -18.02 3 5 0 89 296.392 4 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-N-[(3S)-1,1-dioxothian-3-yl]propanamide 3-(4-aminophenyl)-N-[(3S)-1,1-di…

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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) 0.61 1.7 -18.01 3 5 0 89 296.392 4 ↓

Analogs

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Popular Name: (2S)-2-(aminomethyl)-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2S)-2-(aminomethyl)-N-[(3R)-1,1…

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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 1.52 -58.67 4 5 1 91 311.427 5 ↓
Hi High (pH 8-9.5) 0.19 1.13 -16.73 3 5 0 89 310.419 5 ↓

Analogs

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Popular Name: (2R)-2-(aminomethyl)-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2R)-2-(aminomethyl)-N-[(3R)-1,1…

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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 1.61 -65.55 4 5 1 91 311.427 5 ↓
Hi High (pH 8-9.5) 0.19 1.23 -15.82 3 5 0 89 310.419 5 ↓

Analogs

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Popular Name: (2S)-2-(aminomethyl)-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2S)-2-(aminomethyl)-N-[(3S)-1,1…

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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 1.51 -54.47 4 5 1 91 311.427 5 ↓
Hi High (pH 8-9.5) 0.19 1.13 -16.56 3 5 0 89 310.419 5 ↓

Analogs

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Popular Name: (2R)-2-(aminomethyl)-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2R)-2-(aminomethyl)-N-[(3S)-1,1…

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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 1.61 -69.2 4 5 1 91 311.427 5 ↓
Hi High (pH 8-9.5) 0.19 1.23 -16.47 3 5 0 89 310.419 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-(4-hydroxyphenyl)propanamide (2S)-2-amino-N-[(3R)-1,1-dioxoth…

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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) -0.60 -2.04 -20.37 4 6 0 109 312.391 4 ↓
Mid Mid (pH 6-8) -0.60 -1.71 -59.46 5 6 1 111 313.399 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-(4-hydroxyphenyl)propanamide (2S)-2-amino-N-[(3S)-1,1-dioxoth…

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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) -0.60 -2.03 -19.56 4 6 0 109 312.391 4 ↓
Mid Mid (pH 6-8) -0.60 -1.7 -59.63 5 6 1 111 313.399 4 ↓

Analogs

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Popular Name: (3R)-3-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (3R)-3-amino-N-[(3R)-1,1-dioxoth…

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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) -1.41 1.29 -54.16 4 5 1 91 297.4 4 ↓
Hi High (pH 8-9.5) -1.41 0.96 -17.13 3 5 0 89 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (3S)-3-amino-N-[(3R)-1,1-dioxoth…

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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) -1.41 1.29 -52 4 5 1 91 297.4 4 ↓
Hi High (pH 8-9.5) -1.41 0.93 -17.67 3 5 0 89 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (3R)-3-amino-N-[(3S)-1,1-dioxoth…

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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) -1.41 1.29 -51.99 4 5 1 91 297.4 4 ↓
Hi High (pH 8-9.5) -1.41 0.96 -16.79 3 5 0 89 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (3S)-3-amino-N-[(3S)-1,1-dioxoth…

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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) -1.41 1.29 -54.14 4 5 1 91 297.4 4 ↓
Hi High (pH 8-9.5) -1.41 0.93 -17.64 3 5 0 89 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2R)-2-amino-N-[(3R)-1,1-dioxoth…

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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) -0.12 0.85 -17.19 3 5 0 89 296.392 4 ↓
Mid Mid (pH 6-8) -0.12 1.15 -56.3 4 5 1 91 297.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2R)-2-amino-N-[(3S)-1,1-dioxoth…

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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) -0.12 0.85 -17.42 3 5 0 89 296.392 4 ↓
Mid Mid (pH 6-8) -0.12 1.15 -55.99 4 5 1 91 297.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2S)-2-amino-N-[(3R)-1,1-dioxoth…

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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) -0.12 0.83 -18.14 3 5 0 89 296.392 4 ↓
Mid Mid (pH 6-8) -0.12 1.16 -55.98 4 5 1 91 297.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2S)-2-amino-N-[(3S)-1,1-dioxoth…

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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) -0.12 0.82 -17.6 3 5 0 89 296.392 4 ↓
Mid Mid (pH 6-8) -0.12 1.15 -56.31 4 5 1 91 297.4 4 ↓

Analogs

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Popular Name: (2S)-2-cyano-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2S)-2-cyano-N-[(3R)-1,1-dioxoth…

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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) 1.17 3.93 -17.88 1 5 0 87 306.387 4 ↓

Analogs

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Popular Name: (2R)-2-cyano-N-[(3R)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2R)-2-cyano-N-[(3R)-1,1-dioxoth…

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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) 1.17 3.94 -19.96 1 5 0 87 306.387 4 ↓

Analogs

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Popular Name: (2S)-2-cyano-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2S)-2-cyano-N-[(3S)-1,1-dioxoth…

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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) 1.17 3.94 -19.98 1 5 0 87 306.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyano-N-[(3S)-1,1-dioxothian-3-yl]-3-phenyl-propanamide (2R)-2-cyano-N-[(3S)-1,1-dioxoth…

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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) 1.17 3.94 -17.85 1 5 0 87 306.387 4 ↓

Analogs

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Popular Name: 3-(3-aminophenyl)-N-[(3R)-1,1-dioxothian-3-yl]propanamide 3-(3-aminophenyl)-N-[(3R)-1,1-di…

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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) 0.58 1.69 -18.07 3 5 0 89 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-aminophenyl)-N-[(3S)-1,1-dioxothian-3-yl]propanamide 3-(3-aminophenyl)-N-[(3S)-1,1-di…

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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) 0.58 1.68 -18.03 3 5 0 89 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminophenyl)-N-[(3R)-1,1-dioxothian-3-yl]propanamide 3-(2-aminophenyl)-N-[(3R)-1,1-di…

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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) 0.97 1.79 -17.37 3 5 0 89 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminophenyl)-N-[(3S)-1,1-dioxothian-3-yl]propanamide 3-(2-aminophenyl)-N-[(3S)-1,1-di…

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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) 0.97 1.79 -17.63 3 5 0 89 296.392 4 ↓

Parameters Provided:

ring.id = 288603
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 = 288603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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