UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-chlorophenyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea N-(4-chlorophenyl)-N'-[2-(5-meth…

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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) 4.11 -3.01 -15.04 3 5 0 66 343.814 5 ↓

Analogs

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Popular Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-[3-(trifluoromethyl)phenyl]urea N-[2-(5-methoxy-1H-indol-3-yl)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) 4.30 -0.7 -14.09 3 5 0 66 377.366 6 ↓

Analogs

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Popular Name: (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-(1H-indol-3-yl)propionic-acid-methyl-ester (2S)-2-[(2,4-dimethoxyphenyl)car…

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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) 3.29 -0.73 -15.47 3 8 0 101 397.431 8 ↓

Analogs

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Popular Name: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenyl-urea 1-[2-(5-chloro-1H-indol-3-yl)eth…

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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) 4.05 -3.04 -13.8 3 4 0 56 313.788 4 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[2-(2-met…

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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) 3.86 7.79 -19.45 4 6 0 86 392.503 6 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[2-(4-methyl-1H-indol-3-yl)ethylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[2-(4-met…

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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) 4.04 7.67 -16.12 4 6 0 86 392.503 6 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-5-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoylamino]benzamide N-isopropyl-2-methyl-5-[2-(2-met…

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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) 3.86 7.85 -16.15 4 6 0 86 392.503 6 ↓

Analogs

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Popular Name: 1-(3,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea 1-(3,5-dimethoxyphenyl)-3-[2-(1H…

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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) 3.44 5.29 -16.29 3 6 0 75 339.395 6 ↓

Analogs

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Popular Name: 1-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea 1-[2-[(1S)-2-cyano-1-methyl-ethy…

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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) 4.01 10.03 -19.83 3 5 0 81 392.528 7 ↓

Analogs

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Popular Name: 1-[2-[(1R)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea 1-[2-[(1R)-2-cyano-1-methyl-ethy…

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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) 4.01 10.03 -18.81 3 5 0 81 392.528 7 ↓

Analogs

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Popular Name: 1-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea 1-[2-[(1S)-2-cyano-1-methyl-ethy…

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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) 3.83 10.18 -19.15 3 5 0 81 392.528 7 ↓

Analogs

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Popular Name: 1-[2-[(1R)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea 1-[2-[(1R)-2-cyano-1-methyl-ethy…

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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) 3.83 10.2 -18.74 3 5 0 81 392.528 7 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[(1S)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]urea 1-(2-chlorophenyl)-3-[(1S)-1-(hy…

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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) 3.38 5.11 -10.55 4 5 0 77 343.814 5 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]urea 1-(2-chlorophenyl)-3-[(1R)-1-(hy…

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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) 3.38 5 -11.52 4 5 0 77 343.814 5 ↓

Analogs

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Popular Name: 1-(2-fluoro-5-methyl-phenyl)-3-[(1S)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]urea 1-(2-fluoro-5-methyl-phenyl)-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) 3.29 5.28 -11.25 4 5 0 77 341.386 5 ↓

Analogs

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Popular Name: 1-(2-fluoro-5-methyl-phenyl)-3-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]urea 1-(2-fluoro-5-methyl-phenyl)-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) 3.29 5.15 -12.14 4 5 0 77 341.386 5 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[(1S)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]urea 1-(3,4-difluorophenyl)-3-[(1S)-1…

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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) 3.01 4.59 -14.62 4 5 0 77 345.349 5 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]urea 1-(3,4-difluorophenyl)-3-[(1R)-1…

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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) 3.01 4.49 -16.71 4 5 0 77 345.349 5 ↓

Parameters Provided:

ring.id = 20190
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 20190 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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