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Analogs

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Popular Name: N-[4-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]pentanamide N-[4-[(1S)-2-[(9-ethylcarbazol-3…

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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 14.3 -19.91 2 5 0 63 473.642 9 ↓

Analogs

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Popular Name: N-[4-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]pentanamide N-[4-[(1R)-2-[(9-ethylcarbazol-3…

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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 14.38 -19.71 2 5 0 63 473.642 9 ↓

Analogs

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Popular Name: N-[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide N-[4-[2-[(9-ethylcarbazol-3-yl)a…

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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) 6.28 13.98 -19.03 2 5 0 63 473.642 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanam N-[4-[(1R)-2-[(9-ethylcarbazol-3…

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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) 6.64 14.42 -18.12 2 5 0 63 487.669 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanam N-[4-[(1S)-2-[(9-ethylcarbazol-3…

Find On: PubMed — Wikipedia — Google

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) 6.64 14.41 -21.65 2 5 0 63 487.669 8 ↓

Parameters Provided:

ring.id = 112224
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 = 112224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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