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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: Pyridine-2,4-disulfonic acid Pyridine-2,4-disulfonic acid

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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) -4.62 -5.24 -96.42 0 7 -2 127 237.214 2 ↓

Analogs

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Popular Name: 2-Nitropropanamide 2-Nitropropanamide

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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
Lo Low (pH 4.5-6) -0.28 0.12 -13.85 2 5 0 89 118.092 2 ↓

Analogs

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Popular Name: 2-(Benzoylamino)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4--methyl-4H-1-benzopyran-3-carboxylic acid methyl ester 2-(Benzoylamino)-5,6,7,8-tetrahy…

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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 9.9 -13.78 1 6 0 82 369.417 4 ↓
Mid Mid (pH 6-8) 2.87 8.67 -48.57 0 6 -1 88 368.409 2 ↓

Analogs

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Popular Name: 2-(Benzoylamino)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4--methyl-4H-1-benzopyran-3-carboxylic acid methyl ester 2-(Benzoylamino)-5,6,7,8-tetrahy…

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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 9.9 -13.1 1 6 0 82 369.417 4 ↓
Mid Mid (pH 6-8) 2.87 8.72 -47.36 0 6 -1 88 368.409 2 ↓

Analogs

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Popular Name: 5-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(3,5-Dioxo-4-phenyl-1,2,4-tria…

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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) -0.86 4.43 -38.04 1 10 -1 127 330.28 2 ↓

Analogs

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Popular Name: 1-Benzoyl-5-(benzoylamino)-1H-pyrazole-4-carboxylic acid ethyl ester 1-Benzoyl-5-(benzoylamino)-1H-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) 3.01 10.16 -18.67 1 7 0 90 363.373 6 ↓

Analogs

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Popular Name: wh224 wh224

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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) 0.96 1.68 -12.81 3 8 0 123 252.23 5 ↓

Analogs

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Popular Name: 2-(Ethoxymethylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 2-(Ethoxymethylideneamino)-4,5,6…

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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) 2.87 5.37 -11.36 0 3 0 45 234.324 3 ↓

Analogs

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Popular Name: 6-(Benzoylamino)-3,4-dihydro-2H-thiopyran-5-carboxylic acid ethyl ester 6-(Benzoylamino)-3,4-dihydro-2H-…

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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 8.23 -8.94 1 4 0 55 291.372 5 ↓

Analogs

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Popular Name: 3,4-Dihydro-6-[(2-methyl-1-oxopropyl)amino]-2H-thiopyran-5-carboxylic acid ethyl ester 3,4-Dihydro-6-[(2-methyl-1-oxopr…

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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) 1.88 6.58 -7.8 1 4 0 55 257.355 5 ↓

Analogs

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Popular Name: 2-Ethoxy-5,6,7,8-tetrahydro-[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one 2-Ethoxy-5,6,7,8-tetrahydro-[1]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) 2.05 2.39 -4.46 1 4 0 51 254.355 2 ↓

Analogs

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Popular Name: 2-Ethoxy-5,6,7,8-tetrahydro-[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one 2-Ethoxy-5,6,7,8-tetrahydro-[1]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) 2.05 2.06 -4.66 1 4 0 51 254.355 2 ↓

Analogs

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Popular Name: 2-Ethoxy-5,6,7,8-tetrahydro-[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one 2-Ethoxy-5,6,7,8-tetrahydro-[1]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) 2.05 2.08 -4.3 1 4 0 51 254.355 2 ↓

Analogs

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Popular Name: 2-Ethoxy-5,6,7,8-tetrahydro-[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one 2-Ethoxy-5,6,7,8-tetrahydro-[1]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) 2.05 2 -4.64 1 4 0 51 254.355 2 ↓

Analogs

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Popular Name: 3-Cyano-4,6-dihydroxy-2,5-dimethylpyridine 3-Cyano-4,6-dihydroxy-2,5-dimeth…

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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 -43.73 1 4 -1 80 163.156 0 ↓

Analogs

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Popular Name: 1-Bromo-8-cyanonaphthalene 1-Bromo-8-cyanonaphthalene

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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) 3.61 7.38 -9.33 0 1 0 24 232.08 0 ↓

Analogs

2647455
2647455

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Popular Name: 1-Methoxynaphthalene-2-carboxamide 1-Methoxynaphthalene-2-carboxamide

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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 4.24 -11.38 2 3 0 52 201.225 2 ↓

Analogs

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Popular Name: 1-Bromonaphthalene-2-carboxamide 1-Bromonaphthalene-2-carboxamide

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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) 2.68 4.07 -10.66 2 2 0 43 250.095 1 ↓

Analogs

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Popular Name: 6-Fluoronaphthalene-2-carboxamide 6-Fluoronaphthalene-2-carboxamide

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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 3.61 -9.08 2 2 0 43 189.189 1 ↓

Analogs

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Popular Name: 1-Pyrenethiol 1-Pyrenethiol

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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) 5.06 10.42 -51.67 0 0 -1 0 233.315 0 ↓
Mid Mid (pH 6-8) 5.06 9.89 -6.94 0 0 0 0 234.323 0 ↓

Analogs

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Popular Name: 3-(Trifluoromethyl)-benzaldehyde hydrazone 3-(Trifluoromethyl)-benzaldehyde…

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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) 2.03 3.98 -4.22 2 2 0 38 188.152 2 ↓

Analogs

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Popular Name: 8-Quinolinecarboxaldehyde hydrazone 8-Quinolinecarboxaldehyde hydrazone

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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) 1.12 3.48 -7.27 2 3 0 51 171.203 1 ↓

Analogs

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Popular Name: 3,4-Difluorobenzaldehyde hydrazone 3,4-Difluorobenzaldehyde hydrazone

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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) 1.41 3.1 -5.3 2 2 0 38 156.135 1 ↓

Analogs

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Popular Name: 4-Bromo-2-fluorobenzaldehyde hydrazone 4-Bromo-2-fluorobenzaldehyde 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) 2.06 3.64 -2.93 2 2 0 38 217.041 1 ↓

Analogs

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Popular Name: 3,4-Dihydroxybenzaldehyde hydrazone 3,4-Dihydroxybenzaldehyde hydrazone

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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 -1.93 -7.39 4 4 0 79 152.153 1 ↓

Analogs

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Popular Name: 3-Hydroxy-4-methoxybenzaldehyde hydrazone 3-Hydroxy-4-methoxybenzaldehyde …

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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 0.12 -7.72 3 4 0 68 166.18 2 ↓

Analogs

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Popular Name: Vanillin hydrazone Vanillin hydrazone

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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 0.12 -7.06 3 4 0 68 166.18 2 ↓

Analogs

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Popular Name: 1,4-Pyridazylglyoxal 1,4-Pyridazylglyoxal

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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 1.72 -9.9 0 4 0 60 136.11 2 ↓

Analogs

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Popular Name: 2-Thiazolylglyoxal 2-Thiazolylglyoxal

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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) 0.45 2.54 -11.89 0 3 0 47 141.151 2 ↓

Analogs

1716800
1716800

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Popular Name: Valeraldehyde Valeraldehyde

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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) 0.96 4.36 -11.15 0 2 0 34 114.144 3 ↓

Analogs

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Popular Name: 5-Methylpyrimidine-2,4,6(1H,3H,5H)-trione 5-Methylpyrimidine-2,4,6(1H,3H,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) 0.06 -3.87 -101.71 1 5 -2 92 140.098 0 ↓
Mid Mid (pH 6-8) -0.40 -2.11 -30.98 2 5 -1 89 141.106 0 ↓

Analogs

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Popular Name: 3-(Diisopropyllamino)-5-methylpyridine 3-(Diisopropyllamino)-5-methylpy…

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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) 2.74 6.28 -4.17 0 2 0 16 192.306 3 ↓
Mid Mid (pH 6-8) 2.74 6.75 -26.83 1 2 1 17 193.314 3 ↓

Analogs

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Popular Name: 3-(Diethylamino)-5-methylpyridine 3-(Diethylamino)-5-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) 2.15 5.64 -4.42 0 2 0 16 164.252 3 ↓
Mid Mid (pH 6-8) 2.15 6.11 -26.82 1 2 1 17 165.26 3 ↓

Analogs

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Popular Name: 3-Ethylamino-5-methylpyridine 3-Ethylamino-5-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) 1.53 2.97 -4.37 1 2 0 25 136.198 2 ↓
Mid Mid (pH 6-8) 1.53 3.44 -26.93 2 2 1 26 137.206 2 ↓

Analogs

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Popular Name: 3-(Diisopropyllamino)-6-methylpyridine 3-(Diisopropyllamino)-6-methylpy…

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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) 2.37 6.25 -4.21 0 2 0 16 192.306 3 ↓
Mid Mid (pH 6-8) 2.37 6.68 -25.23 1 2 1 17 193.314 3 ↓

Analogs

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Popular Name: 3-(Diethylamino)-6-methylpyridine 3-(Diethylamino)-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) 1.77 5.61 -4.6 0 2 0 16 164.252 3 ↓
Mid Mid (pH 6-8) 1.77 6.04 -25.31 1 2 1 17 165.26 3 ↓

Analogs

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Popular Name: 3-Ethylamino-6-methylpyridine 3-Ethylamino-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) 1.15 2.94 -4.59 1 2 0 25 136.198 2 ↓
Mid Mid (pH 6-8) 1.15 3.38 -25.85 2 2 1 26 137.206 2 ↓

Analogs

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Popular Name: 3-Dimethylamino-6-methylpyridine 3-Dimethylamino-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) 1.02 3.7 -4.97 0 2 0 16 136.198 1 ↓
Mid Mid (pH 6-8) 1.02 4.13 -25.83 1 2 1 17 137.206 1 ↓

Analogs

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Popular Name: 3-(Diisopropyllamino)-4-methylpyridine 3-(Diisopropyllamino)-4-methylpy…

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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) 2.69 6.79 -2.97 0 2 0 16 192.306 3 ↓
Mid Mid (pH 6-8) 2.69 7.25 -28.4 1 2 1 17 193.314 3 ↓

Analogs

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Popular Name: 3-(Diethylamino)-4-methylpyridine 3-(Diethylamino)-4-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) 2.10 6.25 -3.24 0 2 0 16 164.252 3 ↓
Mid Mid (pH 6-8) 2.10 6.71 -28.74 1 2 1 17 165.26 3 ↓

Analogs

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Popular Name: 3-Dimethylamino-4-methylpyridine 3-Dimethylamino-4-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) 1.34 4.58 -3.71 0 2 0 16 136.198 1 ↓
Mid Mid (pH 6-8) 1.34 5.03 -29.24 1 2 1 17 137.206 1 ↓

Analogs

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Popular Name: 4,5-Diamino-3-bromo-2-methylpyridine 4,5-Diamino-3-bromo-2-methylpyri…

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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 0.35 -27.56 5 3 1 66 203.063 0 ↓
Mid Mid (pH 6-8) 0.94 -0.06 -4.84 4 3 0 65 202.055 0 ↓

Analogs

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Popular Name: 4-Amino-3-bromo-2-methyl-5-nitropyridine 4-Amino-3-bromo-2-methyl-5-nitro…

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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) 1.41 2.7 -3.9 2 5 0 85 232.037 1 ↓

Analogs

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Popular Name: 4-Amino-5-nitropyridine-3-carboxylic acid 4-Amino-5-nitropyridine-3-carbox…

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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 2.24 -35.47 2 7 -1 125 182.115 2 ↓
Lo Low (pH 4.5-6) -0.21 2.7 -39.63 3 7 0 126 183.123 2 ↓

Analogs

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Popular Name: Fluspirilene Fluspirilene

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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) 5.52 14.48 -45.17 2 4 1 37 476.591 7 ↓
Hi High (pH 8-9.5) 5.52 12.22 -9.72 1 4 0 36 475.583 7 ↓

Analogs

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Popular Name: Fluspirilene Fluspirilene

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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) 5.52 14.47 -45.26 2 4 1 37 476.591 7 ↓
Hi High (pH 8-9.5) 5.52 12.22 -9.43 1 4 0 36 475.583 7 ↓

Analogs

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Popular Name: 5,7-Dibromonaphthalene-1-sulfonic acid 5,7-Dibromonaphthalene-1-sulfoni…

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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) 1.61 4.02 -42.75 0 3 -1 57 365.022 1 ↓

Analogs

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Popular Name: 8-Amino-5,7-dibromonaphthalene-1-sulfonic acid hydrobromide 8-Amino-5,7-dibromonaphthalene-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) 1.02 2.9 -38.81 2 4 -1 83 380.037 1 ↓

Analogs

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Popular Name: 6,8-Dibromonaphthalene-1-sulfonic acid 6,8-Dibromonaphthalene-1-sulfoni…

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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) 1.61 4.26 -46.67 0 3 -1 57 365.022 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Amino-6,8-dibromonaphthalene-1-sulfonic acid hydrobromide 5-Amino-6,8-dibromonaphthalene-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) 1.02 2.31 -49.1 2 4 -1 83 380.037 1 ↓

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