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Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)butyric-acid-(6-keto-8-methoxy-benzo[c]isochromen-3-yl)-ester (2S)-2-(benzyloxycarbonylamino)b…

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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) 6.37 11.84 -15.49 1 8 0 104 461.47 9 ↓

Analogs

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Popular Name: (2R)-2-(benzyloxycarbonylamino)butyric-acid-(6-keto-8-methoxy-benzo[c]isochromen-3-yl)-ester (2R)-2-(benzyloxycarbonylamino)b…

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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) 6.37 11.84 -16.6 1 8 0 104 461.47 9 ↓

Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)propionic-acid-(6-keto-8-methoxy-benzo[c]isochromen-3-yl)-ester (2S)-2-(benzyloxycarbonylamino)p…

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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) 5.84 2.5 -15.9 1 8 0 104 447.443 8 ↓

Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)valeric-acid-(6-keto-8-methoxy-benzo[c]isochromen-3-yl)-ester (2S)-2-(benzyloxycarbonylamino)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) 6.93 2.55 -18.4 1 8 0 104 475.497 10 ↓

Analogs

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Popular Name: (2R)-2-(benzyloxycarbonylamino)valeric-acid-(6-keto-8-methoxy-benzo[c]isochromen-3-yl)-ester (2R)-2-(benzyloxycarbonylamino)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) 6.93 2.53 -16.47 1 8 0 104 475.497 10 ↓

Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric-acid-(6-keto-8-methoxy-4-methyl-benzo[c]isochromen- (2S)-2-(benzyloxycarbonylamino)-…

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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) 6.99 12.97 -17.07 1 8 0 104 489.524 9 ↓

Analogs

16021725
16021725

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Popular Name: (2S)-2-(benzyloxycarbonylamino)valeric-acid-(6-keto-8-methoxy-4-methyl-benzo[c]isochromen-3-yl)-este (2S)-2-(benzyloxycarbonylamino)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) 7.31 2.79 -17.38 1 8 0 104 489.524 10 ↓

Analogs

16021725
16021725

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(benzyloxycarbonylamino)valeric-acid-(6-keto-8-methoxy-4-methyl-benzo[c]isochromen-3-yl)-este (2R)-2-(benzyloxycarbonylamino)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) 7.31 2.8 -16.31 1 8 0 104 489.524 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric-acid-(6-keto-8-methoxy-benzo[c]isochromen-3-yl)-est (2S)-2-(benzyloxycarbonylamino)-…

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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) 6.61 12.8 -18.33 1 8 0 104 475.497 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(benzyloxycarbonylamino)propionic-acid-(6-keto-8-methoxy-4-methyl-benzo[c]isochromen-3-yl)-es (2S)-2-(benzyloxycarbonylamino)p…

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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) 6.21 2.76 -17.88 1 8 0 104 461.47 8 ↓

Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)hexanoic-acid-(6-keto-8-methoxy-4-methyl-benzo[c]isochromen-3-yl)-est (2S)-2-(benzyloxycarbonylamino)h…

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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) 7.81 2.91 -17.35 1 8 0 104 503.551 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(benzyloxycarbonylamino)hexanoic-acid-(6-keto-8-methoxy-4-methyl-benzo[c]isochromen-3-yl)-est (2R)-2-(benzyloxycarbonylamino)h…

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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) 7.81 2.92 -16.26 1 8 0 104 503.551 11 ↓

Parameters Provided:

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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 = 232465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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