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

13749006
13749006
13749009
13749009
13749011
13749011

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Popular Name: (2S)-4-methyl-2-(tosylamino)valeric-acid-(2-chloro-6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl (2S)-4-methyl-2-(tosylamino)vale…

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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) 5.83 -0.21 -16.07 1 7 0 102 518.031 8 ↓

Analogs

13749006
13749006
13749009
13749009
13749011
13749011

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-methyl-2-(tosylamino)valeric-acid-(2-chloro-6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl (2R)-4-methyl-2-(tosylamino)vale…

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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) 5.83 -0.46 -19.41 1 7 0 102 518.031 8 ↓

Analogs

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Popular Name: (2S)-2-(tosylamino)propionic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2S)-2-(tosylamino)propionic-aci…

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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) 3.92 -1.23 -18.69 1 7 0 102 441.505 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(tosylamino)propionic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2R)-2-(tosylamino)propionic-aci…

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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) 3.92 -1.26 -20.09 1 7 0 102 441.505 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(tosylamino)propionic-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2S)-2-(tosylamino)propionic-aci…

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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) 4.29 -0.94 -19.59 1 7 0 102 455.532 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(tosylamino)propionic-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2R)-2-(tosylamino)propionic-aci…

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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) 4.29 -0.97 -21.63 1 7 0 102 455.532 6 ↓

Analogs

2399458
2399458
2399459
2399459

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-methyl-2-(tosylamino)valeric-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3 (2S,3R)-3-methyl-2-(tosylamino)v…

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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) 5.57 0.15 -17.89 1 7 0 102 497.613 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-3-methyl-2-(tosylamino)valeric-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3 (2S,3S)-3-methyl-2-(tosylamino)v…

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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) 5.57 -0.4 -18.16 1 7 0 102 497.613 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-methyl-2-(tosylamino)valeric-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3 (2R,3R)-3-methyl-2-(tosylamino)v…

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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) 5.57 -0.2 -23.26 1 7 0 102 497.613 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-3-methyl-2-(tosylamino)valeric-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3 (2R,3S)-3-methyl-2-(tosylamino)v…

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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) 5.57 -0.3 -20.22 1 7 0 102 497.613 8 ↓

Parameters Provided:

ring.id = 229820
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 = 229820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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