UCSF

This report ranks vendors by which sells the most compounds in your active cart. Click on Download to download all this information in tab delimited format suitable for reading in a spreadsheet program. Click on the vendor name to go to the vendor information page in ZINC. Click on "N available" to focus on this vendor's compounds only. Click on Send Quote Request to compose an email to the vendor. If the supplier code is clickable, it takes you directly to the vendor page for that compound. Click on the ZINC ID to go to the Molecule detail page. Click on the SMILES to perform find analogs of that compounds in ZINC. Hover over the smiles for the molecular structure.

Overview

ccr7_hpp_120727 (Public by dahlia.weiss) Download Show All

-Catalogs to Purchase

-Available Catalogs

Combi-Blocks — 1 Available Email Quote Request

ZINC ID Supplier Code SMILES (Find Similar) Suppliers Score
2567623
SS-1038 c1ccc2c(c1)-c3ccccc3C2COC(=O)NC[C@@H](C(=O)[O-])O
15 Z

-Non-Unique/Empty Catalogs

-Ignored Catalogs

Compound Availability

Purchasable:

The following compounds are included in the above report:

# ZINC ID SMILES (Find Similar) Score
1 82338
82338 Zinc Item 82338
Zinc Item 82338

Analogs

Popular Name: 2-piperazineacetic acid, 1-[(2-methoxyphenyl)methyl]-3-oxo- 2-piperazineacetic acid, 1-[(2-m…

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Vendors

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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 4.82 -48.51 2 6 0 83 278.308 5 ↓
Mid Mid (pH 6-8) 0.41 2.34 -79.64 1 6 -1 89 277.3 5 ↓
More about ZINC00082338
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Z
2 201608
201608 Zinc Item 201608
Zinc Item 201608

Analogs

Popular Name: 3-[(4-methoxyphenyl)methylcarbamoylmethyl]-1H-indole-2-carboxylic 3-[(4-methoxyphenyl)methylcarbam…

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Vendors

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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) 2.64 6.99 -54.49 2 6 -1 94 337.355 6 ↓
More about ZINC00201608
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Z
3 236781
236781 Zinc Item 236781
Zinc Item 236781

Analogs

Popular Name: N~2~-(furan-2-ylmethyl)-N-(3-methylphenyl)-alpha-asparagine N~2~-(furan-2-ylmethyl)-N-(3-met…

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Vendors

And 7 More

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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) 1.49 -0.18 -51.37 3 6 0 98 302.33 7 ↓
More about ZINC00236781
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Z
4 240063
240063 Zinc Item 240063
Zinc Item 240063

Analogs

191636
191636

Popular Name: 2-(2-furylcarbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic 2-(2-furylcarbonylamino)-6-methy…

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And 3 More

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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) 3.02 7.45 -54.85 1 5 -1 82 304.347 3 ↓
More about ZINC00240063
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Z
5 309204
309204 Zinc Item 309204
Zinc Item 309204

Analogs

176691
176691

Popular Name: 4-keto-4-[N'-(3-phenylquinoxalin-2-yl)hydrazino]butyrate 4-keto-4-[N'-(3-phenylquinoxalin…

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Vendors

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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) 2.26 7.73 -48.86 2 7 -1 107 335.343 6 ↓
Lo Low (pH 4.5-6) 2.26 5.75 -12.65 3 7 0 104 336.351 6 ↓
More about ZINC00309204
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Z
6 2097710
2097710 Zinc Item 2097710
Zinc Item 2097710

Analogs

3684471
3684471
4351241
4351241

Popular Name: (Z)-N-(2-(Benzoylamino)-1-oxo-3-phenyl-2-propenyl)-beta-alanine; LS-15815; beta-Alanine, N-(2-(benzoylamino)-1-oxo-3-phenyl-2-propenyl)-, (Z)- (Z)-N-(2-(Benzoylamino)-1-oxo-3-…

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Vendors

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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) 2.21 -0.33 -62.78 2 6 -1 98 337.355 7 ↓
More about ZINC02097710
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Z
7 2506775
2506775 Zinc Item 2506775
Zinc Item 2506775

Analogs

Popular Name: DL-TBOA DL-TBOA

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Vendors

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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) -2.22 4.82 -55.21 3 6 -1 117 238.219 6 ↓
Lo Low (pH 4.5-6) -2.22 2.86 -35.81 4 6 0 114 239.227 6 ↓
More about ZINC02506775
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Z
8 2560972
2560972 Zinc Item 2560972
Zinc Item 2560972

Analogs

Popular Name: Asp-Trp Asp-Trp

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Vendors

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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) -2.47 -4.55 -76.8 5 8 -1 152 318.309 7 ↓
More about ZINC02560972
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Z
9 2567623
2567623 Zinc Item 2567623
Zinc Item 2567623

Analogs

Popular Name: 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxypropanoic acid 3-((((9H-Fluoren-9-yl)methoxy)ca…

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And 10 More

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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) 1.90 6.14 -45.42 2 6 -1 99 326.328 6 ↓
More about ZINC02567623
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Z
10 2575691
2575691 Zinc Item 2575691
Zinc Item 2575691

Analogs

Popular Name: Weinreb Linker Weinreb Linker

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Vendors

And 6 More

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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) 3.02 10.25 -50.66 0 6 -1 79 340.355 7 ↓
More about ZINC02575691
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Z
11 2583289
2583289 Zinc Item 2583289
Zinc Item 2583289

Analogs

38528965
38528965

Popular Name: Fmoc-(S)-2-amino-3-methoxypropionic acid Fmoc-(S)-2-amino-3-methoxypropio…

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Vendors

And 5 More

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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) 2.86 8.11 -55.17 1 6 -1 88 340.355 7 ↓
More about ZINC02583289
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Z
12 4014628
4014628 Zinc Item 4014628
Zinc Item 4014628

Analogs

4014627
4014627

Popular Name: 3-(1-naphthyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid 3-(1-naphthyl)-3-(1-oxo-1,3-dihy…

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Vendors

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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) 3.22 11.69 -57.12 0 4 -1 60 330.363 4 ↓
More about ZINC04014628
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Z
13 4720689
4720689 Zinc Item 4720689
Zinc Item 4720689

Analogs

Popular Name: 3-benzo[1,3]dioxol-5-yl-3-(2-phenylacetyl)amino-propanoic 3-benzo[1,3]dioxol-5-yl-3-(2-phe…

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And 4 More

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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) 1.31 -0.45 -54.06 1 6 -1 87 326.328 6 ↓
More about ZINC04720689
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Z
14 5771771
5771771 Zinc Item 5771771
Zinc Item 5771771

Analogs

Popular Name: 2-[2-(6,8,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-ylsulfanyl)acetyl]aminobenzoic 2-[2-(6,8,9-triazabicyclo[4.3.0]…

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And 1 More

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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) 2.53 9.03 -55.26 1 7 -1 99 327.345 5 ↓
More about ZINC05771771
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Z
15 5999479
5999479 Zinc Item 5999479
Zinc Item 5999479

Analogs

Popular Name:

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Vendors

And 5 More

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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) 2.53 10.55 -48.74 1 5 -1 69 309.374 5 ↓
Hi High (pH 8-9.5) 2.72 9.63 -46.1 1 5 -1 77 309.374 5 ↓
Mid Mid (pH 6-8) 2.53 10.8 -28.68 2 5 0 71 310.382 5 ↓
More about ZINC05999479
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Z
16 12949467
12949467 Zinc Item 12949467
Zinc Item 12949467

Analogs

12949465
12949465

Popular Name: [(S)-(3-cyanophenyl)-[2-(o-tolyl)ethylamino]methyl]phosphonic [(S)-(3-cyanophenyl)-[2-(o-tolyl…

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Vendors

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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) 2.35 8.3 -76.18 2 5 -1 104 329.316 6 ↓
More about ZINC12949467
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Z
17 12997512
12997512 Zinc Item 12997512
Zinc Item 12997512

Analogs

12997510
12997510

Popular Name: [(S)-(m-tolylmethylamino)-(4-nitrophenyl)methyl]phosphonic [(S)-(m-tolylmethylamino)-(4-nit…

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Vendors

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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) 2.19 8.03 -69.64 2 7 -1 126 335.276 6 ↓
More about ZINC12997512
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Z
18 13224526
13224526 Zinc Item 13224526
Zinc Item 13224526

Analogs

Popular Name: (3R)-3-[[2-(3-fluorophenyl)acetyl]amino]-3-phenyl-propanoic (3R)-3-[[2-(3-fluorophenyl)acety…

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Vendors

And 1 More

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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) 1.56 8.65 -56.21 1 4 -1 69 300.309 6 ↓
Lo Low (pH 4.5-6) 2.65 4.89 -10.19 2 4 0 70 301.317 6 ↓
Lo Low (pH 4.5-6) 1.56 6.68 -14.63 2 4 0 66 301.317 6 ↓
More about ZINC13224526
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Z
19 13469906
13469906 Zinc Item 13469906
Zinc Item 13469906

Analogs

Popular Name: (1R,6S)-6-[(2-tert-butyl-1H-benzimidazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic (1R,6S)-6-[(2-tert-butyl-1H-benz…

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Vendors

And 1 More

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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) 3.30 7.6 -50.71 2 6 -1 98 340.403 4 ↓
More about ZINC13469906
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Z
20 21301497
21301497 Zinc Item 21301497
Zinc Item 21301497

Analogs

21301501
21301501
21301506
21301506
21301510
21301510

Popular Name: (3R,4R)-3-amino-5-tert-butoxy-4-(2-naphthyl)-5-oxo-pentanoic (3R,4R)-3-amino-5-tert-butoxy-4-…

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Vendors

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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) 2.35 8.91 -38.3 3 5 0 94 329.396 7 ↓
More about ZINC21301497
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Z
21 23141288
23141288 Zinc Item 23141288
Zinc Item 23141288

Analogs

Popular Name: 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(4H-1,2,4-triazol-3-yl)acetamide 2-[2-(phenoxymethyl)benzimidazol…

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Vendors

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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) 2.02 6.37 -46.02 1 8 -1 100 347.358 6 ↓
Ref Reference (pH 7) 1.83 10.06 -51.95 1 8 -1 96 347.358 6 ↓
Hi High (pH 8-9.5) 2.02 9.23 -50.57 1 8 -1 104 347.358 6 ↓
More about ZINC23141288
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Z
22 28814519
28814519 Zinc Item 28814519
Zinc Item 28814519

Analogs

Popular Name: 3,3-diphenyl-N-(5-thioxo-1H-1,2,4-triazol-4-yl)propanamide 3,3-diphenyl-N-(5-thioxo-1H-1,2,…

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Vendors

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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) 2.71 10.35 -42.12 1 5 -1 60 323.401 5 ↓
Mid Mid (pH 6-8) 1.99 10.31 -12.9 2 5 0 63 324.409 5 ↓
More about ZINC28814519
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Z
23 28898973
28898973 Zinc Item 28898973
Zinc Item 28898973

Analogs

Popular Name: 2-(4-pyrrol-1-ylphenyl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)acetamide 2-(4-pyrrol-1-ylphenyl)-N-(5-thi…

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Vendors

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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) 1.32 9.24 -43.86 1 6 -1 65 298.351 4 ↓
Lo Low (pH 4.5-6) 0.59 9.19 -16.05 2 6 0 68 299.359 4 ↓
More about ZINC28898973
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Z
24 31682494
31682494 Zinc Item 31682494
Zinc Item 31682494

Analogs

Popular Name: N-[2-hydroxy-5-[2-(p-tolylsulfanyl)acetyl]phenyl]acetamide N-[2-hydroxy-5-[2-(p-tolylsulfan…

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Vendors

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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) 2.90 6.41 -24.02 2 4 0 66 315.394 5 ↓
Mid Mid (pH 6-8) 2.90 6.87 -46.8 1 4 -1 69 314.386 5 ↓
More about ZINC31682494
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Z
25 32889671
32889671 Zinc Item 32889671
Zinc Item 32889671

Analogs

Popular Name: 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(5-methylisoxazol-3-yl)urea 1-[[2-(dimethylsulfamoyl)phenyl]…

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Vendors

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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) 0.94 4.24 -19.32 2 8 0 105 338.389 5 ↓
More about ZINC32889671
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Z
26 36649917
36649917 Zinc Item 36649917
Zinc Item 36649917

Analogs

36649919
36649919

Popular Name: (4R)-N-[2-(cyclopropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (4R)-N-[2-(cyclopropylcarbamoyl)…

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Vendors

And 1 More

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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 5.95 -15.05 3 6 0 87 349.39 4 ↓
More about ZINC36649917
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Z
27 41056502
41056502 Zinc Item 41056502
Zinc Item 41056502

Analogs

Popular Name: 6-methoxy-1-methyl-4-oxo-N-thiazol-2-yl-quinoline-3-carboxamide 6-methoxy-1-methyl-4-oxo-N-thiaz…

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Vendors

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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) 0.85 5.8 -20.74 1 6 0 73 315.354 3 ↓
Hi High (pH 8-9.5) 0.91 4.47 -65.36 0 6 -1 80 314.346 3 ↓
More about ZINC41056502
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Z
28 41056684
41056684 Zinc Item 41056684
Zinc Item 41056684

Analogs

39962932
39962932
39962984
39962984
39962985
39962985
39963081
39963081

Popular Name: 6-chloro-1-methyl-4-oxo-N-thiazol-2-yl-quinoline-3-carboxamide 6-chloro-1-methyl-4-oxo-N-thiazo…

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Vendors

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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) 1.47 7.04 -18.56 1 5 0 64 319.773 2 ↓
Hi High (pH 8-9.5) 1.54 5.69 -60.81 0 5 -1 70 318.765 2 ↓
More about ZINC41056684
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Z
29 41056896
41056896 Zinc Item 41056896
Zinc Item 41056896

Analogs

39962932
39962932

Popular Name: 1-methyl-4-oxo-N-thiazol-2-yl-quinoline-3-carboxamide 1-methyl-4-oxo-N-thiazol-2-yl-qu…

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Vendors

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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) 0.81 6.53 -18.54 1 5 0 64 285.328 2 ↓
Hi High (pH 8-9.5) 0.88 5.18 -62.89 0 5 -1 70 284.32 2 ↓
More about ZINC41056896
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Z
30 48847004
48847004 Zinc Item 48847004
Zinc Item 48847004

Analogs

Popular Name: 2-{[(benzyloxy)carbonyl]amino}-5-hydroxybenzoic acid 2-{[(benzyloxy)carbonyl]amino}-5…

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Vendors

And 2 More

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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) 2.78 4.86 -46.85 2 6 -1 99 286.263 5 ↓
More about ZINC48847004
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Z
31 53251239
53251239 Zinc Item 53251239
Zinc Item 53251239

Analogs

Popular Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(5-methylisoxazol-3-yl)urea 1-[(3,5-dimethyl-1-phenyl-pyrazo…

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Vendors

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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) 2.01 8.98 -13.92 1 7 0 76 339.399 4 ↓
More about ZINC53251239
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Z
32 63761406
63761406 Zinc Item 63761406
Zinc Item 63761406

Analogs

Popular Name: (2S,3S)-2,3-dihydroxy-4-[[(1R)-2-hydroxy-1-(2H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic (2S,3S)-2,3-dihydroxy-4-[[(1R)-2…

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Vendors

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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) -3.03 2.2 -87.59 4 9 -1 164 335.292 7 ↓
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33 63763280
63763280 Zinc Item 63763280
Zinc Item 63763280

Analogs

Popular Name: 2-[(4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-3H-1,2,4-triazol-3-yl]acetamide 2-[(4-oxo-6-phenyl-5H-pyrimidin-…

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Vendors

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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) 0.50 5.41 -49.78 1 8 -1 119 327.349 5 ↓
Lo Low (pH 4.5-6) 0.49 6.06 -20.62 2 8 0 116 328.357 4 ↓
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34 63897914
63897914 Zinc Item 63897914
Zinc Item 63897914

Analogs

Popular Name: (1R,6S)-6-[(2-cyclopropyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic (1R,6S)-6-[(2-cyclopropyl-1,3-be…

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And 1 More

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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) 2.51 9.13 -45.46 1 5 -1 82 341.412 4 ↓
Lo Low (pH 4.5-6) 2.51 7.05 -12.23 2 5 0 79 342.42 4 ↓
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35 65454468
65454468 Zinc Item 65454468
Zinc Item 65454468

Analogs

Popular Name: 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridyl]pyrrolidin-1-yl]acetic 2-[(3S)-3-[2-(3-acetylphenyl)-4-…

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Vendors

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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) 1.35 10.49 -46.26 1 5 0 75 324.38 5 ↓
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36 67881839
67881839 Zinc Item 67881839
Zinc Item 67881839

Analogs

Popular Name: 2-[[3-oxo-4-(p-tolylmethyl)piperazin-1-yl]methyl]benzoic 2-[[3-oxo-4-(p-tolylmethyl)piper…

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And 1 More

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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) 2.33 11.5 -42.15 1 5 0 65 338.407 5 ↓
Mid Mid (pH 6-8) 2.33 9.53 -50.39 0 5 -1 64 337.399 5 ↓
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37 69349614
69349614 Zinc Item 69349614
Zinc Item 69349614

Analogs

Popular Name: (4R)-N-(2-indolin-1-yl-2-oxo-ethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (4R)-N-(2-indolin-1-yl-2-oxo-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) 1.32 5.9 -14.51 2 6 0 79 349.39 3 ↓
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38 71613502
71613502 Zinc Item 71613502
Zinc Item 71613502

Analogs

Popular Name: Fmoc-(R)-3-amino-5-hexynoicacid Fmoc-(R)-3-amino-5-hexynoicacid

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Vendors

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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) 2.21 11.01 -27.57 3 5 0 94 349.386 7 ↓
Mid Mid (pH 6-8) 2.21 10.78 -48.74 2 5 -1 92 348.378 7 ↓
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39 71767391
71767391 Zinc Item 71767391
Zinc Item 71767391

Analogs

Popular Name: (2R)-2-(1-naphthylcarbamoylamino)pentanedioic (2R)-2-(1-naphthylcarbamoylamino…

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Vendors

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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) 0.17 7.83 -113.89 2 7 -2 121 314.297 6 ↓
Lo Low (pH 4.5-6) 0.17 5.91 -57.75 3 7 -1 119 315.305 6 ↓
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Not for Sale:

The following compounds are not availabile from any known vendors:

# ZINC ID SMILES (Find Similar) Score
1 13224110
13224110 Zinc Item 13224110
Zinc Item 13224110

Analogs

Popular Name: (3R)-3-[[2-(4-chlorophenyl)acetyl]amino]-3-phenyl-propanoic (3R)-3-[[2-(4-chlorophenyl)acety…

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Vendors

    None

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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) 2.10 8.17 -56.68 1 4 -1 69 316.764 6 ↓
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2 13255792
13255792 Zinc Item 13255792
Zinc Item 13255792

Analogs

Popular Name: (2S)-4-[(3-cyano-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2S)-4-[(3-cyano-2-thienyl)amino…

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Vendors

    None

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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) 2.17 7.87 -51.69 1 5 -1 93 299.331 5 ↓
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3 20317119
20317119 Zinc Item 20317119
Zinc Item 20317119

Analogs

Popular Name: (2R)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]propanoic (2R)-2-[3-(3,4-dihydro-1H-isoqui…

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Vendors

    None

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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) 1.06 7.28 -42.2 0 6 -1 78 298.322 3 ↓
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Z
4 58164676
58164676 Zinc Item 58164676
Zinc Item 58164676

Analogs

Popular Name: [(1R)-2-[N'-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)hydrazino]-1-methyl-2-oxo-ethyl]urea [(1R)-2-[N'-(2,5-dimethyl-1-phen…

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Vendors

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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) 0.23 2.68 -12.97 5 8 0 118 343.387 5 ↓
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