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Analogs

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Popular Name: (3S,4S)-3-(benzenesulfonyl)chroman-4-amine (3S,4S)-3-(benzenesulfonyl)chrom…

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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) -0.22 3.12 -10.1 2 4 0 69 289.356 2 ↓
Mid Mid (pH 6-8) -0.22 3.43 -45.21 3 4 1 71 290.364 2 ↓

Analogs

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Popular Name: (3R,4S)-3-(benzenesulfonyl)chroman-4-amine (3R,4S)-3-(benzenesulfonyl)chrom…

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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) -0.22 2.95 -10.11 2 4 0 69 289.356 2 ↓
Mid Mid (pH 6-8) -0.22 3.25 -48.33 3 4 1 71 290.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(benzenesulfonyl)chroman-4-amine (3S,4R)-3-(benzenesulfonyl)chrom…

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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) -0.22 2.62 -11.05 2 4 0 69 289.356 2 ↓
Mid Mid (pH 6-8) -0.22 3.19 -48.4 3 4 1 71 290.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(benzenesulfonyl)chroman-4-amine (3R,4R)-3-(benzenesulfonyl)chrom…

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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) -0.22 3.06 -10.71 2 4 0 69 289.356 2 ↓
Mid Mid (pH 6-8) -0.22 3.39 -45.27 3 4 1 71 290.364 2 ↓

Analogs

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Popular Name: (3R,4R)-3-(benzenesulfonyl)-N-methyl-chroman-4-amine (3R,4R)-3-(benzenesulfonyl)-N-me…

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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) 2.03 5.03 -39.97 2 4 1 60 304.391 3 ↓
Mid Mid (pH 6-8) 2.03 3.76 -10.22 1 4 0 55 303.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(benzenesulfonyl)-N-methyl-chroman-4-amine (3R,4S)-3-(benzenesulfonyl)-N-me…

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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) 2.03 4.74 -42.86 2 4 1 60 304.391 3 ↓
Mid Mid (pH 6-8) 2.03 3.54 -8.96 1 4 0 55 303.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(benzenesulfonyl)-N-methyl-chroman-4-amine (3S,4R)-3-(benzenesulfonyl)-N-me…

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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) 2.03 4.68 -42.86 2 4 1 60 304.391 3 ↓
Mid Mid (pH 6-8) 2.03 3.15 -10.59 1 4 0 55 303.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(benzenesulfonyl)-N-methyl-chroman-4-amine (3S,4S)-3-(benzenesulfonyl)-N-me…

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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) 2.03 5.08 -39.94 2 4 1 60 304.391 3 ↓
Mid Mid (pH 6-8) 2.03 4.26 -10.21 1 4 0 55 303.383 3 ↓

Analogs

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Popular Name: (3R,4S)-3-(benzenesulfonyl)chroman-4-ol (3R,4S)-3-(benzenesulfonyl)chrom…

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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) 1.48 3.35 -12.56 1 4 0 64 290.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(benzenesulfonyl)chroman-4-ol (3S,4S)-3-(benzenesulfonyl)chrom…

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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) 1.48 2.57 -12.64 1 4 0 64 290.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(benzenesulfonyl)chroman-4-ol (3R,4R)-3-(benzenesulfonyl)chrom…

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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) 1.48 2.51 -12.69 1 4 0 64 290.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(benzenesulfonyl)chroman-4-ol (3S,4R)-3-(benzenesulfonyl)chrom…

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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) 1.48 3.24 -12.64 1 4 0 64 290.34 2 ↓

Parameters Provided:

ring.id = 7719
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 = 7719 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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