UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11840604
11840604

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Popular Name: (2R)-2-methyl-N-[[7-(1-naphthylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]m (2R)-2-methyl-N-[[7-(1-naphthylm…

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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) 2.80 -0.21 -62.11 2 6 1 64 392.527 6 ↓

Analogs

11840602
11840602

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Popular Name: (2S)-2-methyl-N-[[7-(1-naphthylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]m (2S)-2-methyl-N-[[7-(1-naphthylm…

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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) 2.80 -0.21 -61.83 2 6 1 64 392.527 6 ↓

Analogs

11996311
11996311

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Popular Name: N-[(1R)-2-methyl-1-[7-(1-naphthylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl N-[(1R)-2-methyl-1-[7-(1-naphthy…

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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) 2.54 -3.63 -69.35 2 7 1 81 428.582 6 ↓

Analogs

11996310
11996310

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Popular Name: N-[(1S)-2-methyl-1-[7-(1-naphthylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl N-[(1S)-2-methyl-1-[7-(1-naphthy…

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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) 2.54 -3.33 -69.89 2 7 1 81 428.582 6 ↓

Analogs

12029056
12029056

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Popular Name: N-[(1S)-1-[7-[(4-methoxy-1-naphthyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3 N-[(1S)-1-[7-[(4-methoxy-1-napht…

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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) 2.55 -3.16 -72.91 2 8 1 91 458.608 7 ↓

Analogs

12029052
12029052

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Popular Name: N-[(1R)-1-[7-[(4-methoxy-1-naphthyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3 N-[(1R)-1-[7-[(4-methoxy-1-napht…

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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) 2.55 -3.59 -67.87 2 8 1 91 458.608 7 ↓

Analogs

12031811
12031811

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Popular Name: N-[(1S)-1-[7-[(2-methoxy-1-naphthyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3 N-[(1S)-1-[7-[(2-methoxy-1-napht…

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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) 2.55 -3.64 -61.66 2 8 1 91 458.608 7 ↓

Analogs

12031809
12031809

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Popular Name: N-[(1R)-1-[7-[(2-methoxy-1-naphthyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3 N-[(1R)-1-[7-[(2-methoxy-1-napht…

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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) 2.55 -3.56 -59.84 2 8 1 91 458.608 7 ↓

Parameters Provided:

ring.id = 58275
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 = 58275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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