UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ((3,4-dichlorophenyl)amino)-N-(4-pyridylcarbonylamino)formamide ((3,4-dichlorophenyl)amino)-N-(4…

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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) 2.23 4.02 -13.6 3 6 0 83 325.155 3 ↓

Analogs

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Popular Name: N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-butyl-butan-1-amine N-[2-[2-(2-butoxyethoxy)ethoxy]e…

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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) 4.23 10.26 -33.85 1 4 1 32 318.522 18 ↓

Analogs

16638728
16638728

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Popular Name: 2-[2-[2-(2-dibutylaminoethoxy)ethoxy]ethoxy]ethanol 2-[2-[2-(2-dibutylaminoethoxy)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) 2.07 5.34 -36.49 2 5 1 52 306.467 17 ↓

Analogs

5419524
5419524

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Popular Name: 2-[2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol 2-[2-[2-[2-[2-(dibutylamino)etho…

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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) 1.86 5.67 -38.18 2 6 1 62 350.52 20 ↓

Analogs

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Popular Name: N,N,N',N'-tetrabutyl-4,4-dimethyl-8H-thiazolo[4,5-f][1,3]benzothiazole-2,6-diamine N,N,N',N'-tetrabutyl-4,4-dimethy…

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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) 8.93 18.29 -7.6 0 4 0 32 476.8 14 ↓

Analogs

35196385
35196385

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Popular Name: 2-[5-[[4-(dibutylamino)phenyl]methylene]-4-(4-hydroxyphenyl)thiazol-2-ylidene]propanedinitrile 2-[5-[[4-(dibutylamino)phenyl]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) 6.55 12.67 -12.14 1 5 0 84 456.615 9 ↓

Analogs

35196387
35196387

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Popular Name: [4-[5-[[4-(dibutylamino)phenyl]methylene]-2-(dicyanomethylene)thiazol-4-yl]phenyl] [4-[5-[[4-(dibutylamino)phenyl]m…

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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) 6.59 16.69 -15.87 0 6 0 90 498.652 11 ↓

Analogs

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Popular Name: 4-[2-(dibutylamino)-5-(4-nitrophenyl)azo-thiazol-4-yl]phenol 4-[2-(dibutylamino)-5-(4-nitroph…

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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) 7.44 12.21 -15.39 1 8 0 107 453.568 11 ↓

Analogs

16638747
16638747

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Popular Name: N,N-dibutyl-5-(4-nitrophenyl)azo-4-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiazol-2-amine N,N-dibutyl-5-(4-nitrophenyl)azo…

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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) 7.81 13.7 -17.31 0 9 0 108 509.632 14 ↓

Analogs

16638745
16638745

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Popular Name: N,N-dibutyl-5-(4-nitrophenyl)azo-4-[4-[[(2R)-oxiran-2-yl]methoxy]phenyl]thiazol-2-amine N,N-dibutyl-5-(4-nitrophenyl)azo…

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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) 7.81 13.7 -17.83 0 9 0 108 509.632 14 ↓

Analogs

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Popular Name: 1-butyl-1-[2-[2-[2-(butyl-(phenylcarbamoyl)amino)ethoxy]ethoxy]ethyl]-3-phenyl-urea 1-butyl-1-[2-[2-[2-(butyl-(pheny…

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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) 5.72 13.78 -19.63 2 8 0 83 498.668 17 ↓

Analogs

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Popular Name: 1-butyl-1-[2-[2-[2-[butyl-[(2-fluorophenyl)carbamoyl]amino]ethoxy]ethoxy]ethyl]-3-(2-fluorophenyl)ur 1-butyl-1-[2-[2-[2-[butyl-[(2-fl…

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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) 5.96 14.08 -14.41 2 8 0 83 534.648 17 ↓

Analogs

641106
641106
6898200
6898200

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Popular Name: N-(1,3-benzothiazol-2-yl)-N'-(3,4-dichlorophenyl)urea N-(1,3-benzothiazol-2-yl)-N'-(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) 4.98 7.51 -13.3 2 4 0 54 338.219 2 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-4-(2-pyridyl)piperazine-1-carboxamide N-(3-chlorophenyl)-4-(2-pyridyl)…

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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 7.13 -10.83 1 5 0 48 316.792 2 ↓

Analogs

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Popular Name: 6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol 6-methyl[1,2,4]triazolo[4,3-b]py…

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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) 0.19 2.62 -44.48 0 5 -1 66 149.133 0 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-propyl-propanamide (2S)-2-[(3,5-dimethylphenyl)-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) 2.56 4.17 -14.21 1 5 0 66 312.435 6 ↓

Analogs

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Popular Name: 2-(4-Pyridyl)malondialdehyde 2-(4-Pyridyl)malondialdehyde

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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) -0.28 2.77 -34.23 0 3 -1 53 148.141 2 ↓
Ref Reference (pH 7) -0.28 2.78 -33.06 0 3 -1 53 148.141 2 ↓
Mid Mid (pH 6-8) 0.73 1.86 -19.42 0 3 0 47 149.149 3 ↓

Analogs

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Popular Name: 2-Formyl-3-methyl-1-oxo-1,5-dihydro-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile 2-Formyl-3-methyl-1-oxo-1,5-dihy…

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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 5.52 -32.9 0 5 -1 81 250.237 1 ↓

Analogs

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Popular Name: (2E,5S)-5-(hydroxymethyl)-5-(1-piperidylmethyl)-2-(1-piperidylmethylimino)thiazolidin-4-one (2E,5S)-5-(hydroxymethyl)-5-(1-p…

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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) 1.00 2.79 -38.18 3 6 1 69 341.501 5 ↓
Mid Mid (pH 6-8) 1.00 1.08 -8.26 2 6 0 68 340.493 5 ↓
Mid Mid (pH 6-8) 1.00 3.49 -32.7 3 6 1 69 341.501 5 ↓

Analogs

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Popular Name: (2E,5R)-5-(hydroxymethyl)-5-(1-piperidylmethyl)-2-(1-piperidylmethylimino)thiazolidin-4-one (2E,5R)-5-(hydroxymethyl)-5-(1-p…

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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) 1.00 2.49 -38.24 3 6 1 69 341.501 5 ↓
Mid Mid (pH 6-8) 1.00 4.9 -87.1 4 6 2 71 342.509 5 ↓
Mid Mid (pH 6-8) 1.00 0.58 -7.97 2 6 0 68 340.493 5 ↓

Analogs

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Popular Name: 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one 2-[(E)-2-(2,5-dimethoxyphenyl)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) 1.81 0.68 -56.49 1 9 -1 133 318.265 5 ↓
Hi High (pH 8-9.5) 2.27 -0.14 -124.98 0 9 -2 136 317.257 5 ↓

Analogs

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Popular Name: 2-(2-benzo[1,3]dioxol-5-ylvinyl)-5-nitro-pyrimidine-4,6-diol 2-(2-benzo[1,3]dioxol-5-ylvinyl)…

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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) 1.84 0.84 -59.32 1 9 -1 133 302.222 3 ↓
Hi High (pH 8-9.5) 2.30 -0.18 -117.5 0 9 -2 136 301.214 3 ↓

Analogs

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Popular Name: 5-nitro-2-[2-(2-methoxyphenyl)vinyl]-4,6-pyrimidinediol 5-nitro-2-[2-(2-methoxyphenyl)vi…

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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) 1.78 4.55 -59.08 1 8 -1 124 288.239 4 ↓
Hi High (pH 8-9.5) 2.24 3.46 -122.39 0 8 -2 127 287.231 4 ↓

Analogs

5986571
5986571

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Popular Name: 2-[(6-methoxy-2-methyl-1H-quinolin-4-ylidene)amino]phenol 2-[(6-methoxy-2-methyl-1H-quinol…

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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) 4.37 4.79 -28.34 3 4 1 56 281.335 3 ↓
Hi High (pH 8-9.5) 4.37 4.41 -8.35 2 4 0 54 280.327 3 ↓

Analogs

1515286
1515286

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Popular Name: 3-[(2-pyridylamino)methyl]thiazolidine-2,4-dione 3-[(2-pyridylamino)methyl]thiazo…

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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) 0.49 2.93 -8.19 1 5 0 62 223.257 3 ↓

Analogs

31840809
31840809

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Popular Name: 3-(3-Oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid methyl ester 3-(3-Oxo-3,4-dihydro-quinoxalin-…

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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) 0.98 4.12 -10.76 1 5 0 72 232.239 4 ↓

Analogs

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Popular Name: 5-(3,5-dibromo-2-hydroxybenzylidene)-2-thioxo-4-imidazolidinone 5-(3,5-dibromo-2-hydroxybenzylid…

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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) 2.34 3.06 -11.32 3 4 0 69 378.045 1 ↓

Analogs

4179583
4179583

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Popular Name: 4-[[(E)-[3-methyl-1-(o-tolyl)-5-oxo-pyrazol-4-ylidene]methyl]amino]benzoic 4-[[(E)-[3-methyl-1-(o-tolyl)-5-…

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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) 3.25 10.14 -58.27 1 6 -1 87 334.355 4 ↓

Analogs

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Popular Name: 2-(1,3-benzoxazol-2-yl)-3-(4-hydroxy-2-methylanilino)acrylonitrile 2-(1,3-benzoxazol-2-yl)-3-(4-hyd…

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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 3.93 -11.94 2 5 0 82 291.31 3 ↓
Ref Reference (pH 7) 3.02 5.06 -12.65 2 5 0 82 291.31 3 ↓

Analogs

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Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dimethylanilino)acrylonitrile (E)-2-(1,3-benzoxazol-2-yl)-3-(2…

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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) 3.95 7.45 -10.23 1 4 0 62 289.338 3 ↓

Analogs

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Popular Name: 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol 2-[2-[2-[butyl-[2-[2-(2-hydroxye…

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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) -0.11 1.13 -38.48 3 7 1 82 338.465 19 ↓

Analogs

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Popular Name: N,N-bis(2-butylsulfanylethyl)butan-1-amine N,N-bis(2-butylsulfanylethyl)but…

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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) 5.71 13.47 -36.64 1 1 1 4 306.605 15 ↓

Analogs

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Popular Name: 4-(butyl-(1-naphthylcarbamoyl)amino)benzoic 4-(butyl-(1-naphthylcarbamoyl)am…

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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) 5.90 12.22 -57.09 1 5 -1 72 361.421 6 ↓

Analogs

52297285
52297285
52297287
52297287
52297292
52297292

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Popular Name: 4-(butyl-(phenylcarbamoyl)amino)benzoic 4-(butyl-(phenylcarbamoyl)amino)…

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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) 4.74 9.78 -57.5 1 5 -1 72 311.361 6 ↓

Analogs

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Popular Name: 4-[butyl-[(2-chlorophenyl)carbamoyl]amino]benzoic 4-[butyl-[(2-chlorophenyl)carbam…

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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) 5.37 10.47 -53.86 1 5 -1 72 345.806 6 ↓

Analogs

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Popular Name: (3-methyl-1-phenyl-5-thioxo-4H-pyrazol-4-yl)-phenyl-methanone (3-methyl-1-phenyl-5-thioxo-4H-p…

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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) 3.78 10.1 -41.21 0 3 -1 35 293.371 3 ↓

Analogs

39049942
39049942
39050053
39050053
39050487
39050487

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Popular Name: 2-Amino-6-methylpyridine 2-Amino-6-methylpyridine

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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) 0.57 2.09 -4.82 2 2 0 39 108.144 0 ↓

Analogs

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Popular Name: 3-Aminocrotononitrile 3-Aminocrotononitrile

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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) 0.51 1.22 -7.3 2 2 0 50 82.106 0 ↓
Ref Reference (pH 7) 0.51 1.15 -7.29 2 2 0 50 82.106 0 ↓

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Popular Name: Methyl 3-aminocrotonate Methyl 3-aminocrotonate

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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) 0.59 1.32 -6.89 2 3 0 52 115.132 2 ↓

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Popular Name: Benzothiazolone Benzothiazolone

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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) 1.82 2.74 -6.83 1 2 0 33 151.19 0 ↓
Hi High (pH 8-9.5) 2.28 0.77 -43.33 0 2 -1 36 150.182 0 ↓

Analogs

39050639
39050639
164674
164674

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Popular Name: 4-Dimethylaminopyridine 4-Dimethylaminopyridine

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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) 0.75 3.14 -4.61 0 2 0 16 122.171 1 ↓

Analogs

38250965
38250965
39375565
39375565
1720078
1720078

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Popular Name: 4-propylmorpholine 4-propylmorpholine

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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) 1.07 1.25 -2.15 0 2 0 12 129.203 2 ↓

Analogs

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Popular Name: 4-[butyl-[(2-fluorophenyl)carbamoyl]amino]benzoic 4-[butyl-[(2-fluorophenyl)carbam…

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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) 4.85 9.92 -53.92 1 5 -1 72 329.351 6 ↓

Analogs

16638773
16638773

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Popular Name: 4-[butyl-(4-methylbenzoyl)amino]benzoic 4-[butyl-(4-methylbenzoyl)amino]…

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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) 4.87 9.94 -57.14 0 4 -1 60 310.373 6 ↓

Analogs

16638771
16638771

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Popular Name: 4-[butyl-[4-[butyl-(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic 4-[butyl-[4-[butyl-(4-carboxyphe…

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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) 6.91 13.86 -113.42 0 8 -2 121 514.578 12 ↓

Analogs

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Popular Name: 2-Aminothiazole 2-Aminothiazole

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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) 0.48 0.61 -5.02 2 2 0 39 100.146 0 ↓
Lo Low (pH 4.5-6) 0.48 1.12 -27.14 3 2 1 40 101.154 0 ↓

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Popular Name: 4-[butyl-(4-chlorobenzoyl)amino]benzoic 4-[butyl-(4-chlorobenzoyl)amino]…

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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) 5.10 9.88 -55.29 0 4 -1 60 330.791 6 ↓

Analogs

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Popular Name: 4-(butyl-(phenylcarbamothioyl)amino)benzoic 4-(butyl-(phenylcarbamothioyl)am…

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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) 4.64 11.62 -58.61 1 4 -1 55 327.429 8 ↓

Analogs

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Popular Name: 4-(butyl-(p-tolylsulfonyl)amino)benzoic 4-(butyl-(p-tolylsulfonyl)amino)…

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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) 4.75 8.28 -54.28 0 5 -1 78 346.428 7 ↓

Analogs

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Popular Name: 1-butyl-3-(3,4-dichlorophenyl)-1-phenyl-urea 1-butyl-3-(3,4-dichlorophenyl)-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) 6.11 11.18 -10.88 1 3 0 32 337.25 5 ↓

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