UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-N-[(2-nitrophenyl)methyleneamino]isochroman-1-carboxamide (1R)-N-[(2-nitrophenyl)methylene…

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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) 2.86 8.31 -22.37 1 7 0 97 325.324 4 ↓

Analogs

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Popular Name: (1S)-N-[(2-nitrophenyl)methyleneamino]isochroman-1-carboxamide (1S)-N-[(2-nitrophenyl)methylene…

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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) 2.86 7.59 -12.57 1 7 0 97 325.324 4 ↓

Analogs

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Popular Name: (1R)-N-(benzylideneamino)isochroman-1-carboxamide (1R)-N-(benzylideneamino)isochro…

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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) 2.95 7.21 -11.79 1 4 0 51 280.327 3 ↓

Analogs

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Popular Name: (1S)-N-(benzylideneamino)isochroman-1-carboxamide (1S)-N-(benzylideneamino)isochro…

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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) 2.95 7.2 -11.83 1 4 0 51 280.327 3 ↓

Analogs

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Popular Name: (1R)-N-[(3-nitrophenyl)methyleneamino]isochroman-1-carboxamide (1R)-N-[(3-nitrophenyl)methylene…

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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) 2.88 7.86 -12.34 1 7 0 97 325.324 4 ↓

Analogs

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Popular Name: (1S)-N-[(3-nitrophenyl)methyleneamino]isochroman-1-carboxamide (1S)-N-[(3-nitrophenyl)methylene…

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Activity (Go SEA)

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) 2.88 7.88 -12.32 1 7 0 97 325.324 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-methoxyphenyl)methyleneamino]isochroman-1-carboxamide (1R)-N-[(4-methoxyphenyl)methyle…

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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) 3.00 6.5 -12.53 1 5 0 60 310.353 4 ↓

Parameters Provided:

ring.id = 259290
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 = 259290 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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