UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39296378
39296378

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Popular Name: 9(10H)-ACRIDONE 9(10H)-ACRIDONE

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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 6.41 -10.79 1 2 0 33 195.221 0 ↓

Analogs

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Popular Name: 1-(5-acetyl-2,4,6-trimethyl-1,4-dihydro-3-pyridinyl)ethanone 1-(5-acetyl-2,4,6-trimethyl-1,4-…

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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) 1.68 5.7 -19.24 1 3 0 46 207.273 2 ↓

Analogs

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Popular Name: Diphenyl disulfide Diphenyl disulfide

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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) 4.40 10.03 -4.17 0 0 0 0 218.346 3 ↓

Analogs

197038
197038

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Popular Name: N-(benzotriazol-1-ylmethyl)-5-chloro-pyridin-2-amine N-(benzotriazol-1-ylmethyl)-5-ch…

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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) 2.77 5.13 -10.06 1 5 0 56 259.7 3 ↓

Analogs

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Popular Name: N-(benzotriazol-1-ylmethyl)-5-bromo-pyridin-2-amine N-(benzotriazol-1-ylmethyl)-5-br…

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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) 2.91 5.24 -9.96 1 5 0 56 304.151 3 ↓

Analogs

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Popular Name: BLAH BLAH

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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 2.14 -4.17 0 4 0 13 192.266 0 ↓
Mid Mid (pH 6-8) 0.98 3.71 -28.56 1 4 1 14 193.274 0 ↓

Analogs

26513817
26513817
40177195
40177195
40177196
40177196
5342314
5342314
5342333
5342333

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Popular Name: (2-chlorophenyl)(dimethylamino)acetonitrile (2-chlorophenyl)(dimethylamino)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) 2.34 4.2 -4.22 0 2 0 27 194.665 2 ↓

Analogs

19934360
19934360
26513817
26513817
40177195
40177195
40177196
40177196
5342314
5342314

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Popular Name: (2-chlorophenyl)(dimethylamino)acetonitrile (2-chlorophenyl)(dimethylamino)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) 2.34 4.97 -5.51 0 2 0 27 194.665 2 ↓

Analogs

2155069
2155069
5917320
5917320

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Popular Name: 2-oxo-4,6-diphenyl-1,2-dihydropyridine-3-carbonitrile 2-oxo-4,6-diphenyl-1,2-dihydropy…

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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) 3.68 8.84 -14.91 1 3 0 57 272.307 2 ↓
Mid Mid (pH 6-8) 4.14 6.92 -51.8 0 3 -1 60 271.299 2 ↓

Analogs

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Popular Name: 5,5'-Methylenebis(benzotriazole) 5,5'-Methylenebis(benzotriazole)

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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) 2.55 3.27 -17.55 2 6 0 83 250.265 2 ↓
Hi High (pH 8-9.5) 2.55 3.14 -46.22 1 6 -1 81 249.257 2 ↓
Hi High (pH 8-9.5) 2.55 3.38 -46.05 1 6 -1 81 249.257 2 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)isoxazol-5(4H)-one 3-(4-methoxyphenyl)isoxazol-5(4H…

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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) 2.06 4.15 -42.71 0 4 -1 58 190.178 2 ↓

Analogs

32199226
32199226
32199229
32199229

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Popular Name: 4-Quinolinecarboxamide 4-Quinolinecarboxamide

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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) 0.99 -2.4 -11.36 2 3 0 55 172.187 1 ↓

Analogs

34610163
34610163
4253
4253

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Popular Name: 2'-DEOXYCYTIDINE 2'-DEOXYCYTIDINE

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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) -1.97 -5.1 -22.79 4 7 0 111 227.22 2 ↓

Analogs

34610163
34610163
4253
4253

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Popular Name: 2'-Deoxycytidine 2'-Deoxycytidine

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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) -1.97 -5.87 -16.07 4 7 0 111 227.22 2 ↓

Analogs

34551110
34551110
36747520
36747520
21813597
21813597
21814255
21814255

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Popular Name: 5-Bromo-N-isobutylpyridin-2-amine 5-Bromo-N-isobutylpyridin-2-amine

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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) 3.00 5.28 -3.02 1 2 0 25 229.121 3 ↓

Analogs

16478019
16478019

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Popular Name: 2,5-Diphenyl-2H-pyrazol-3-ol 2,5-Diphenyl-2H-pyrazol-3-ol

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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 7.91 -12.6 1 3 0 38 236.274 2 ↓
Ref Reference (pH 7) 3.00 8.17 -10.06 0 3 0 33 236.274 2 ↓
Mid Mid (pH 6-8) 3.24 6 -8.71 1 3 0 38 236.274 2 ↓

Analogs

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Popular Name: H-D-Phg-OMe.HCl H-D-Phg-OMe.HCl

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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) -0.71 2.97 -5.92 2 3 0 52 165.192 3 ↓

Analogs

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Popular Name: N-Phenylurethane N-Phenylurethane

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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) 2.25 3.63 -6.52 1 3 0 38 165.192 3 ↓

Analogs

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Popular Name: 1-phenylpyrazolidine-3,5-dione 1-phenylpyrazolidine-3,5-dione

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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) 0.76 1.14 -40.12 0 4 -1 56 175.167 1 ↓

Analogs

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Popular Name: isoquinolin-1-ylamine isoquinolin-1-ylamine

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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) 0.40 4.29 -33.46 3 2 1 41 145.185 0 ↓

Analogs

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Popular Name: 2-Aminoquinoline 2-Aminoquinoline

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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) 1.77 3.63 -7.32 2 2 0 39 144.177 0 ↓

Analogs

1618895
1618895

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Popular Name: 4,6-dichloro-5-(dimethylaminomethylene)cyclohexa-3,6-diene-1,3-dicarbaldehyde 4,6-dichloro-5-(dimethylaminomet…

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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 6.22 -17.3 0 3 0 37 260.12 3 ↓

Analogs

39280922
39280922
40164072
40164072
40164080
40164080
40164100
40164100

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Popular Name: 2,8-dimethylquinolin-4-ol 2,8-dimethylquinolin-4-ol

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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 5.63 -16.76 1 2 0 33 173.215 0 ↓

Analogs

19934251
19934251
19934253
19934253
26515909
26515909
26515911
26515911
19934150
19934150

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Popular Name: 2-(dimethylamino)-2-(p-tolyl)acetonitrile 2-(dimethylamino)-2-(p-tolyl)ace…

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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) 2.16 5.09 -5.1 0 2 0 27 174.247 2 ↓

Analogs

19934152
19934152
19934251
19934251
19934253
19934253
26515909
26515909
26515911
26515911

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Popular Name: 2-(dimethylamino)-2-(p-tolyl)acetonitrile 2-(dimethylamino)-2-(p-tolyl)ace…

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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) 2.16 5.14 -5.23 0 2 0 27 174.247 2 ↓

Analogs

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Popular Name: 2-pyridylBLAH 2-pyridylBLAH

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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) -3.24 1.74 -24.88 0 5 1 23 218.284 1 ↓

Analogs

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Popular Name: 4,4'-(Phenylmethylene)bismorpholine; BRN 0253533; Dimorpholinophenylmethane; EINECS 229-192-6; LS-93291; Morpholine, 4,4'-(phenylmethylene)bis-; Morpholine, 4,4'-benzylidenedi- (7CI,8CI); N,N'-Benzylidenebismorpholine 4,4'-(Phenylmethylene)bismorphol…

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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) 1.63 2.12 -3.17 0 4 0 25 262.353 3 ↓
Lo Low (pH 4.5-6) 1.63 3.71 -35.75 1 4 1 26 263.361 3 ↓

Analogs

5377566
5377566

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Popular Name: LS-41556 LS-41556

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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) 1.22 1.92 -9.83 0 5 0 43 218.26 2 ↓

Analogs

32600163
32600163
32600165
32600165
25760564
25760564
4977606
4977606

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Popular Name: 1-[(S)-morpholino-phenyl-methyl]benzotriazole 1-[(S)-morpholino-phenyl-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) 2.80 6 -9.73 0 5 0 43 294.358 3 ↓

Analogs

25760569
25760569
32600163
32600163
32600165
32600165
4977606
4977606
4977610
4977610

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Popular Name: 1-[(R)-morpholino-phenyl-methyl]benzotriazole 1-[(R)-morpholino-phenyl-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) 2.80 6.27 -9.52 0 5 0 43 294.358 3 ↓

Analogs

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Popular Name: 1H-imidazol-4-yl-(4-methoxyphenyl)methanone 1H-imidazol-4-yl-(4-methoxypheny…

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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) 1.68 4.53 -8.94 1 4 0 55 202.213 3 ↓

Analogs

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Popular Name: (1R,2S)-1,2-bis(benzotriazol-1-yl)-N,N'-diphenyl-ethane-1,2-diamine (1R,2S)-1,2-bis(benzotriazol-1-y…

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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) 5.31 9.66 -13.92 2 8 0 85 446.518 7 ↓

Analogs

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Popular Name: 1-[(1R,2S)-2-(benzotriazol-1-yl)-1,2-dimorpholino-ethyl]benzotriazole 1-[(1R,2S)-2-(benzotriazol-1-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) 2.10 2.93 -12.72 0 10 0 86 434.504 5 ↓
Mid Mid (pH 6-8) 2.10 5.44 -38.97 1 10 1 88 435.512 5 ↓
Mid Mid (pH 6-8) 2.10 5.4 -37.96 1 10 1 88 435.512 5 ↓

Analogs

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Popular Name: 1-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-dimorpholino-ethyl]benzotriazole 1-[(1R,2R)-2-(benzotriazol-1-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) 2.10 3.29 -11.05 0 10 0 86 434.504 5 ↓
Mid Mid (pH 6-8) 2.10 5.86 -42.07 1 10 1 88 435.512 5 ↓

Analogs

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Popular Name: 1-[(1S,2S)-2-(benzotriazol-1-yl)-1,2-dimorpholino-ethyl]benzotriazole 1-[(1S,2S)-2-(benzotriazol-1-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) 2.10 3.51 -20.58 0 10 0 86 434.504 5 ↓
Mid Mid (pH 6-8) 2.10 5.88 -52.14 1 10 1 88 435.512 5 ↓

Analogs

34551047
34551047
32220463
32220463
3160253
3160253
3160254
3160254

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Popular Name: ethyl ethyl

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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 5.66 -5.74 0 4 0 39 249.31 5 ↓

Analogs

32220464
32220464
34551047
34551047
3160253
3160253
3160254
3160254

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Popular Name: ethyl ethyl

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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 5.6 -5.88 0 4 0 39 249.31 5 ↓

Analogs

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Popular Name: COUROUPITINE B COUROUPITINE B

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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 5.6 -9.22 2 4 0 66 262.268 0 ↓

Analogs

39296378
39296378
2583871
2583871

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Popular Name: 4-Hydroxyquinoline 4-Hydroxyquinoline

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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) 0.65 4.33 -15.71 1 2 0 33 145.161 0 ↓
Lo Low (pH 4.5-6) 1.95 2.39 -30.88 2 2 1 34 146.169 0 ↓

Analogs

39244302
39244302

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Popular Name: 2-Hydroxyquinoline 2-Hydroxyquinoline

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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) 1.16 3.55 -9.35 1 2 0 33 145.161 0 ↓

Analogs

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Popular Name: 2,3-dimethyl-1,4,6,9-tetrahydropyridazino[1,2-d][1,2,4,5]tetrazine 2,3-dimethyl-1,4,6,9-tetrahydrop…

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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) 0.60 0.55 -4.75 0 4 0 13 168.244 0 ↓
Mid Mid (pH 6-8) 0.60 2.1 -31.03 1 4 1 14 169.252 0 ↓
Mid Mid (pH 6-8) 0.60 2.09 -28.3 1 4 1 14 169.252 0 ↓

Analogs

32139329
32139329
5851826
5851826
155007
155007

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Popular Name: 1-Carbethoxy-4-methylpiperazine hydrochloride; 1-Ethoxycarbonyl-4-methylpiperazine hydrochloride; 1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride; 180C; LS-110947; NSC 26301 1-Carbethoxy-4-methylpiperazine …

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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) 0.68 1.95 -5.98 0 4 0 33 172.228 2 ↓

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Popular Name: 4-Hydroxypyridine 4-Hydroxypyridine

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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) -0.34 2.03 -9.02 0 2 0 29 95.101 0 ↓

Analogs

1719646
1719646
388041
388041
19014797
19014797

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Popular Name: trimethyl(2-pyridyl)ammonium trimethyl(2-pyridyl)ammonium

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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) -2.84 6.72 -28.47 0 2 1 13 137.206 1 ↓

Analogs

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Popular Name: 2-(2,6-dichlorophenoxy)ethylhydrazine 2-(2,6-dichlorophenoxy)ethylhydr…

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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) 1.59 2.92 -4.49 3 3 0 47 221.087 4 ↓
Mid Mid (pH 6-8) 1.59 2.7 -41.29 4 3 1 49 222.095 4 ↓
Mid Mid (pH 6-8) 1.59 3.47 -35.8 4 3 1 52 222.095 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.10 3.11 -11.28 0 4 0 60 172.18 7 ↓

Analogs

6281267
6281267

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Popular Name: 4-methoxybenzaldehyde oxime 4-methoxybenzaldehyde oxime

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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) 2.41 1.63 -6.18 1 3 0 42 151.165 2 ↓
Ref Reference (pH 7) 2.41 1.78 -6.74 1 3 0 42 151.165 2 ↓
Ref Reference (pH 7) 1.59 1.85 -4.25 0 3 0 39 151.165 3 ↓

Analogs

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Popular Name: 2,6-Dimethyl-4-hydroxypyridine 2,6-Dimethyl-4-hydroxypyridine

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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 3.31 -17.1 1 2 0 33 123.155 0 ↓

Analogs

16954992
16954992

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Popular Name: 3-(3-pyridyl)prop-2-enamide 3-(3-pyridyl)prop-2-enamide

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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) -0.02 0.54 -11.3 2 3 0 56 148.165 2 ↓
Lo Low (pH 4.5-6) -0.02 0.82 -29.28 3 3 1 57 149.173 2 ↓

Analogs

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Popular Name: 4-Methyl-1H-pyrrolo[2,3-b]pyridine 4-Methyl-1H-pyrrolo[2,3-b]pyridine

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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) 1.64 4.45 -7.29 1 2 0 29 132.166 0 ↓
Lo Low (pH 4.5-6) 1.64 4.7 -28.48 2 2 1 30 133.174 0 ↓

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