UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 2-[(1R)-2-[(9-ethylcarbazol-3-yl…

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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) 5.05 12.41 -84.57 1 6 -1 83 401.442 6 ↓

Analogs

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Popular Name: 2-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 2-[(1S)-2-[(9-ethylcarbazol-3-yl…

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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) 5.05 12.45 -84.64 1 6 -1 83 401.442 6 ↓

Analogs

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Popular Name: 4-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 4-[(1R)-2-[(9-ethylcarbazol-3-yl…

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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) 5.02 11.99 -62.77 1 6 -1 83 401.442 6 ↓

Analogs

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Popular Name: 4-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 4-[(1S)-2-[(9-ethylcarbazol-3-yl…

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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) 5.02 11.97 -62.99 1 6 -1 83 401.442 6 ↓

Analogs

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Popular Name: 3-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 3-[(1R)-2-[(9-ethylcarbazol-3-yl…

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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) 5.00 11.96 -71.48 1 6 -1 83 401.442 6 ↓

Analogs

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Popular Name: 3-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 3-[(1S)-2-[(9-ethylcarbazol-3-yl…

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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) 5.00 11.94 -71.46 1 6 -1 83 401.442 6 ↓

Analogs

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Popular Name: 4-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1R)-2-[(9-ethylcarbazol-3-yl…

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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) 4.61 11.72 -64.28 1 7 -1 93 431.468 7 ↓

Analogs

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Popular Name: 4-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1S)-2-[(9-ethylcarbazol-3-yl…

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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) 4.61 11.71 -63.84 1 7 -1 93 431.468 7 ↓

Analogs

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Popular Name: 2-[4-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[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) 4.54 12.77 -62.42 1 6 -1 83 415.469 7 ↓

Analogs

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Popular Name: 2-[4-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[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) 4.54 12.77 -61.22 1 6 -1 83 415.469 7 ↓

Analogs

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Popular Name: 4-[(1R)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1R)-2-[(9-ethylcarbazol-3-yl…

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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) 4.94 12.09 -142.27 1 8 -2 124 444.443 7 ↓

Analogs

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Popular Name: 4-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1S)-2-[(9-ethylcarbazol-3-yl…

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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) 4.94 12.08 -141.94 1 8 -2 124 444.443 7 ↓

Analogs

33588042
33588042
39858037
39858037

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Popular Name: N-(9-ethylcarbazol-3-yl)-2-(4-ethylphenoxy)acetamide N-(9-ethylcarbazol-3-yl)-2-(4-et…

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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) 5.66 13.16 -17.83 1 4 0 43 372.468 6 ↓

Analogs

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Popular Name: N-(9-ethylcarbazol-3-yl)-2-[4-(3-oxobutyl)phenoxy]-acetamide N-(9-ethylcarbazol-3-yl)-2-[4-(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) 4.99 13.86 -21.59 1 5 0 60 414.505 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.79 13.16 -22.81 1 6 0 70 416.477 8 ↓

Analogs

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Popular Name: 4-[(9-ethylcarbazol-3-yl)carbamoylmethoxy]benzamide 4-[(9-ethylcarbazol-3-yl)carbamo…

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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) 3.57 8.52 -22.43 3 6 0 86 387.439 6 ↓

Parameters Provided:

ring.id = 137612
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 = 137612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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