UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2170457
2170457

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Popular Name: 8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)chromone 8-iodo-5,7-dimethoxy-2-(4-methox…

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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) 4.82 8.61 -12.18 0 5 0 58 438.217 4 ↓

Analogs

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Popular Name: 1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid 1-phenyl-2,3,4,9-tetrahydro-1H-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) 1.48 8.71 -34.37 3 4 0 73 292.338 2 ↓
Hi High (pH 8-9.5) 1.48 7.69 -49.31 2 4 -1 68 291.33 2 ↓

Analogs

4012200
4012200
4012201
4012201
3882107
3882107

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Popular Name: (3,4,5-trimethoxyphenyl)BLAHcarboxylic (3,4,5-trimethoxyphenyl)BLAHcarb…

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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) 1.11 8.2 -36.4 3 7 0 100 382.416 5 ↓
Hi High (pH 8-9.5) 1.11 7.03 -50.55 2 7 -1 96 381.408 5 ↓

Analogs

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Popular Name: (2,6-Dioxo-piperidin-4-yl)-acetic acid (2,6-Dioxo-piperidin-4-yl)-aceti…

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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) -0.79 0.4 -46.41 1 5 -1 86 170.144 2 ↓

Analogs

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Popular Name: 5,6-diphenyl-1,2,4-triazin-3-ol 5,6-diphenyl-1,2,4-triazin-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) 3.14 2.9 -55.52 0 4 -1 62 248.265 2 ↓

Analogs

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Popular Name: (2S)-2-[(3-bromobenzoyl)amino]-3-phenyl-propanoic (2S)-2-[(3-bromobenzoyl)amino]-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) 1.50 8.23 -55.93 1 4 -1 69 347.188 5 ↓

Analogs

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Popular Name: Boc-phe-leu-oh Boc-phe-leu-oh

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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) 3.26 -0.67 -64.95 2 7 -1 107 377.461 10 ↓

Analogs

4566601
4566601
6337831
6337831
13403849
13403849

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Popular Name: 3-Nitrochalcone 3-Nitrochalcone

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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) 3.75 9.93 -13.79 0 4 0 63 253.257 4 ↓

Analogs

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Popular Name: N-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-4-methyl-thiadiazole-5-carboxamide N-[(E)-(2-chloro-6-fluoro-benzyl…

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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 4.7 -11.16 1 5 0 67 298.73 3 ↓

Analogs

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Popular Name: ethyl 3,5-dimethyl-1H-pyrazole-1-carboxylate ethyl 3,5-dimethyl-1H-pyrazole-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) 1.05 3.9 -8.05 0 4 0 44 168.196 2 ↓

Analogs

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Popular Name: N-[(E)-styryl]benzamide N-[(E)-styryl]benzamide

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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) 3.14 7.92 -9 1 2 0 29 223.275 3 ↓

Analogs

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Popular Name: 4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide 4-methyl-N-(1-phenylethyl)-1,2,3…

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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) 2.14 4.63 -6.34 1 4 0 55 247.323 3 ↓

Analogs

197841
197841

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Popular Name: 2-[(2S)-2-hydroxypropoxy]isoindoline-1,3-quinone 2-[(2S)-2-hydroxypropoxy]isoindo…

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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 2.82 -14.31 1 5 0 69 221.212 3 ↓

Analogs

3634842
3634842
5762106
5762106
5923322
5923322
5932981
5932981

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Popular Name: 2-(2,6-diketo-4-piperidyl)acetaldehyde 2-(2,6-diketo-4-piperidyl)acetal…

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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) -0.21 -0.77 -13.38 1 4 0 63 155.153 2 ↓

Analogs

5378727
5378727
12375852
12375852

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Popular Name: 4-Chlorochalcone 4-Chlorochalcone

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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) 4.49 2.12 -7.51 0 1 0 17 242.705 3 ↓

Analogs

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Popular Name: Dihydroflavonol Dihydroflavonol

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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) 2.27 5.79 -6.77 1 3 0 47 240.258 1 ↓

Analogs

3965586
3965586

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Popular Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one (2E)-3-(1,3-benzodioxol-5-yl)-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) 3.87 7.96 -10.59 0 3 0 36 270.259 3 ↓

Analogs

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Popular Name: N-(2-chloroacetyl)benzamide N-(2-chloroacetyl)benzamide

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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 4.97 -19.05 1 3 0 46 197.621 2 ↓

Analogs

8994038
8994038
17059927
17059927
17161066
17161066
32126550
32126550
32126553
32126553

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Popular Name: 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-phenyl-; 3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one; AI3-17317; D 729; LS-123818 2-Propen-1-one, 3-(1,3-benzodiox…

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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) 3.70 7.89 -10.68 0 3 0 36 252.269 3 ↓

Analogs

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Popular Name: 4-phenylpiperidine-2,6-dione 4-phenylpiperidine-2,6-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) 1.21 3.57 -8.72 1 3 0 46 189.214 1 ↓

Analogs

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Popular Name: 2,4-Oxazolidinedione 2,4-Oxazolidinedione

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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) -0.87 -2.07 -8.49 1 4 0 55 101.061 0 ↓

Analogs

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Popular Name: (2E)-3-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one (2E)-3-(2,5-dimethoxyphenyl)-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) 3.84 3.1 -9.36 0 3 0 35 286.302 5 ↓

Analogs

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Popular Name: 3-(2-bromophenyl)-1-phenyl-prop-2-en-1-one 3-(2-bromophenyl)-1-phenyl-prop-…

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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) 4.39 1.55 -9.63 0 1 0 17 287.156 3 ↓

Analogs

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Popular Name: (E)-3-(3-bromo-4-methoxy-phenyl)-1-(3-fluorophenyl)prop-2-en-1-one (E)-3-(3-bromo-4-methoxy-phenyl)…

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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 9.29 -7.94 0 2 0 26 335.172 4 ↓

Analogs

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Popular Name: 1H-Imidazo[4,5-b]pyrazin-2-amine 1H-Imidazo[4,5-b]pyrazin-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) -0.18 2.09 -12.69 3 5 0 80 135.13 0 ↓
Mid Mid (pH 6-8) -0.18 2.57 -32.77 4 5 1 82 136.138 0 ↓
Lo Low (pH 4.5-6) -0.18 2.55 -33.35 4 5 1 82 136.138 0 ↓

Analogs

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Popular Name: 2-[4-(dimethylamino)phenyl]-1,3-dithiane 2-[4-(dimethylamino)phenyl]-1,3-…

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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) 3.17 8.42 -4.87 0 1 0 3 239.409 2 ↓

Analogs

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Popular Name: 1,3-Dithiane, 2-methyl-2-phenyl-; 2-Methyl-2-phenyl-m-dithiane; LS-63125; NSC 47056; m-Dithiane, 2-methyl-2-phenyl- 1,3-Dithiane, 2-methyl-2-phenyl-…

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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) 3.51 0.29 -3.88 0 0 0 0 210.367 1 ↓

Analogs

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Popular Name: Benzyl propargyl ether Benzyl propargyl ether

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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) 2.05 1.97 -5.21 0 1 0 9 146.189 3 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.11 0.4 -5.9 1 3 0 38 113.116 2 ↓

Analogs

40165657
40165657

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Popular Name: 1,2,3,4-Tetrahydro-1,5-naphthyridine 1,2,3,4-Tetrahydro-1,5-naphthyri…

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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) 1.27 2.69 -5.39 1 2 0 25 134.182 0 ↓
Lo Low (pH 4.5-6) 1.27 2.95 -26.98 2 2 1 26 135.19 0 ↓

Analogs

2508066
2508066

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Popular Name: (S)-pent-3-yne-2-ol (S)-pent-3-yne-2-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) 1.02 1.04 -3.76 1 1 0 20 84.118 0 ↓

Analogs

5158110
5158110

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Popular Name: (2R)-pent-3-yn-2-ol (2R)-pent-3-yn-2-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) 1.02 1.04 -3.76 1 1 0 20 84.118 0 ↓

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-4-methyl-thiadiazole-5-carboxamide N-[(2-methoxyphenyl)methyl]-4-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) 1.59 -1.58 -7.65 1 5 0 64 263.322 4 ↓

Analogs

13588581
13588581
36467053
36467053

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Popular Name: Boc-L-Valinal Boc-L-Valinal

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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 1.18 -9.24 1 4 0 55 201.266 5 ↓

Analogs

16523820
16523820
4831608
4831608

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Popular Name: 5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1-phenyl-tetrazole 5-[[(2R)-oxiran-2-yl]methylsulfa…

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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) 1.34 4.21 -10.96 0 5 0 56 234.284 4 ↓

Analogs

16523822
16523822
4831608
4831608

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Popular Name: 5-[[(2S)-oxiran-2-yl]methylsulfanyl]-1-phenyl-tetrazole 5-[[(2S)-oxiran-2-yl]methylsulfa…

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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) 1.34 4.2 -10.62 0 5 0 56 234.284 4 ↓

Analogs

32107589
32107589
32114550
32114550

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Popular Name: N-benzyl-3-phenylacrylamide N-benzyl-3-phenylacrylamide

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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) 3.17 7.81 -7.6 1 2 0 29 237.302 4 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyridazinamine 6-chloro-N-[2-(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) 3.36 -1.66 -9.9 2 4 0 53 272.739 4 ↓

Analogs

3965614
3965614

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Popular Name: Diethyl 2-(2-oxopropyl)succinate Diethyl 2-(2-oxopropyl)succinate

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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 3.87 -12.08 0 5 0 69 230.26 9 ↓

Analogs

2545268
2545268

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Popular Name: Diethyl 2-(2-oxopropyl)succinate Diethyl 2-(2-oxopropyl)succinate

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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 7.65 -7.92 0 5 0 70 230.26 9 ↓

Analogs

190063
190063
190069
190069

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Popular Name: 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride 1-Phenyl-2,3,4,9-tetrahydro-1H-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) 3.70 6.92 -5.42 2 2 0 28 248.329 1 ↓

Analogs

190063
190063
190069
190069

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Popular Name: 1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline 1-phenyl-2,3,4,9-tetrahydro-1H-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) 3.70 7.25 -5.33 2 2 0 28 248.329 1 ↓

Analogs

1613603
1613603

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Popular Name: Propyl propane thiosulfonate Propyl propane thiosulfonate

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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) 1.13 6.05 -13.59 0 5 0 70 228.244 5 ↓

Analogs

5808686
5808686

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Popular Name: Propyl propane thiosulfonate Propyl propane thiosulfonate

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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) 1.13 5.82 -11.98 0 5 0 70 228.244 5 ↓

Analogs

3965593
3965593

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Popular Name: 2'-HYDROXYCHALCONE 2'-HYDROXYCHALCONE

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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) 3.75 7.77 -9.69 1 2 0 37 224.259 3 ↓
Hi High (pH 8-9.5) 3.75 8.78 -55.84 0 2 -1 40 223.251 3 ↓

Analogs

39289883
39289883

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Popular Name: Pseudobaptigenin methyl ether Pseudobaptigenin methyl ether

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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) 3.46 6.31 -11.34 0 5 0 58 296.278 2 ↓

Analogs

193572
193572

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Popular Name: (6R)-3-benzyl-2-keto-4-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic-acid-methyl-ester (6R)-3-benzyl-2-keto-4-methyl-6-…

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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) 4.19 9.8 -8.35 1 5 0 59 336.391 5 ↓

Analogs

193571
193571

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Popular Name: (6S)-3-benzyl-2-keto-4-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic-acid-methyl-ester (6S)-3-benzyl-2-keto-4-methyl-6-…

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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) 4.19 9.79 -8.53 1 5 0 59 336.391 5 ↓

Analogs

8323122
8323122
12773684
12773684
12773688
12773688
7550915
7550915

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 7.59 -7.83 1 5 0 59 353.216 4 ↓

Analogs

12974318
12974318
13005656
13005656
13005657
13005657

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 6.07 -10.54 1 6 0 68 304.346 6 ↓

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page.format = basic
page.num = 1
catalog.name = cmldbu
filter.purchasability = purchasable

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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  WHERE c.free = 1 AND c.short_name LIKE 'cmldbu' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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