UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-bromophenyl)-2-guanidinoimino-2-phenyl-thioacetamide N-(4-bromophenyl)-2-guanidinoimi…

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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) 2.48 -5.55 -36.19 6 5 1 88 377.291 6 ↓

Analogs

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Popular Name: 4-chloro-N-(4,5-dihydrothiazol-2-yl)dithiazol-5-imine 4-chloro-N-(4,5-dihydrothiazol-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) 2.53 4.15 -27.16 1 3 1 39 238.77 1 ↓
Hi High (pH 8-9.5) 2.53 3.8 -4.78 0 3 0 38 237.762 1 ↓

Analogs

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Popular Name: 3,5-Dinitropyridin-2-amine 3,5-Dinitropyridin-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) 0.54 2.79 -6.93 2 8 0 131 184.111 2 ↓

Analogs

34972149
34972149
34972171
34972171

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Popular Name: 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol 4-amino-5-phenyl-4H-1,2,4-triazo…

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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) 1.67 4.96 -46.99 2 4 -1 57 191.239 1 ↓

Analogs

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Popular Name: 1-vinyl-4H-tetrazol-5-one 1-vinyl-4H-tetrazol-5-one

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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 -1.16 -35.9 0 5 -1 67 111.084 1 ↓

Analogs

39643928
39643928

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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) 1.80 5.03 -41.35 0 6 -1 80 246.246 5 ↓

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) 1.53 3.47 -11.57 0 8 0 102 262.225 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.44 8.62 -16.89 0 11 0 149 335.276 6 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.81 5.16 -10.75 0 10 0 129 404.423 9 ↓

Analogs

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Popular Name: 1-benzyl-5-chloro-triazole-4-carboxylic 1-benzyl-5-chloro-triazole-4-car…

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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 0.76 -49.08 0 5 -1 70 236.638 3 ↓

Analogs

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Popular Name: 5-amino-1-(4-nitrophenyl)-triazole-4-carbonitrile 5-amino-1-(4-nitrophenyl)-triazo…

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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) 0.69 4.27 -11.63 2 8 0 126 230.187 2 ↓

Analogs

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Popular Name: 5-(4-nitrophenyl)-3-phenyl-triazol-4-amine 5-(4-nitrophenyl)-3-phenyl-triaz…

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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 1.44 -12.32 2 7 0 102 281.275 3 ↓

Analogs

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Popular Name: 5-(methoxymethyl)-1-(4-nitrophenyl)-triazole-4-carboxylic 5-(methoxymethyl)-1-(4-nitrophen…

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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) 1.09 1.47 -50.55 0 9 -1 125 277.216 5 ↓

Analogs

36639028
36639028

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Popular Name: 1-(4-chlorophenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid 1-(4-chlorophenyl)-5-(methoxymet…

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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 0.81 -52.22 0 6 -1 80 266.664 4 ↓

Analogs

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Popular Name: (3Z)-1-benzyl-3-(2-ethyl-4-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)urea (3Z)-1-benzyl-3-(2-ethyl-4-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) -0.18 11.58 -30.6 2 5 1 50 371.511 5 ↓
Mid Mid (pH 6-8) 4.06 10.5 -10.88 1 5 0 51 370.503 4 ↓

Analogs

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Popular Name: ethyl-oxido-[(4-phenylthiadiazol-5-yl)methylene]ammonium ethyl-oxido-[(4-phenylthiadiazol…

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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) 1.09 5.52 -17.69 0 4 0 55 233.296 3 ↓

Analogs

1316284
1316284

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Popular Name: 2,4,6-Trinitrophenol 2,4,6-Trinitrophenol

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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) 1.45 6.13 -30.72 0 10 -1 161 228.096 3 ↓

Analogs

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Popular Name: (4Z)-2-phenyl-4-(phenylhydrazono)oxazol-5-one (4Z)-2-phenyl-4-(phenylhydrazono…

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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 5.6 -50.73 0 5 -1 74 264.264 3 ↓

Analogs

34402270
34402270

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Popular Name: 1-(4-nitrophenyl)triazole-4-carbaldehyde 1-(4-nitrophenyl)triazole-4-carb…

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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 4.6 -10.73 0 7 0 94 218.172 3 ↓

Analogs

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Popular Name: N-phenyl-5-(2-pyridyl)-3H-triazol-4-amine N-phenyl-5-(2-pyridyl)-3H-triazo…

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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) 2.43 5.5 -8.27 2 5 0 66 237.266 3 ↓

Analogs

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Popular Name: 5-chloro-3-(4-nitrophenyl)-1-phenyl-pyrazole-4-carbaldehyde 5-chloro-3-(4-nitrophenyl)-1-phe…

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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) 3.81 2.84 -8.84 0 6 0 80 327.727 4 ↓

Analogs

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Popular Name: 5-Chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole 5-Chloro-3-methyl-4-nitro-1-phen…

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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) 2.57 2.25 -5.99 0 5 0 63 237.646 2 ↓

Analogs

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Popular Name: 1-phenyl-1H-pyrazol-5-ol 1-phenyl-1H-pyrazol-5-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) 1.11 4.38 -16.26 1 3 0 38 160.176 1 ↓

Analogs

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Popular Name: (5Z)-4-methyl-5-(4-nitrophenyl)imino-2-phenyl-1,2,4-thiadiazolidine-3-thione (5Z)-4-methyl-5-(4-nitrophenyl)i…

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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) 0.07 11.92 -49.52 1 6 1 67 345.429 4 ↓

Analogs

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Popular Name: (1R)-2-(4-bromophenyl)-8-methyl-7-phenyl-1$l^{4}-thia-2,3,4,6,8-pentazabicyclo[3.3.0]octa-1(5),3,6-t (1R)-2-(4-bromophenyl)-8-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) 3.81 9.96 -32.65 1 5 1 45 375.275 2 ↓

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) 1.57 1.88 -45.39 0 5 -1 75 215.235 2 ↓

Analogs

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Popular Name: (2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)amine (2,3-diphenyl-1,2,4-thiadiazol-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) 0.08 7.93 -23.1 2 3 1 43 254.338 2 ↓
Lo Low (pH 4.5-6) 0.08 8.48 -89.28 3 3 2 44 255.346 2 ↓

Analogs

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Popular Name: N''-cyano-N,N'-diisopropylguanidine N''-cyano-N,N'-diisopropylguanidine

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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) 0.91 5.84 -4.59 2 4 0 60 168.244 4 ↓

Analogs

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Popular Name: N''-cyano-N,N'-dicyclohexylguanidine N''-cyano-N,N'-dicyclohexylguani…

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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) 3.38 9.58 -2.68 2 4 0 60 248.374 4 ↓

Analogs

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Popular Name: 3-((4-nitrophenyl)amino)cyclohex-2-en-1-one, 98% 3-((4-nitrophenyl)amino)cyclohex…

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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) 2.46 0.87 -13.17 1 5 0 74 232.239 3 ↓

Analogs

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Popular Name: 2-(anilinomethylene)-5,5-dimethyl-1,3-cyclohexanedione 2-(anilinomethylene)-5,5-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) 2.73 7.45 -42.57 0 3 -1 52 242.298 2 ↓
Ref Reference (pH 7) 2.73 6.45 -37.89 0 3 -1 52 242.298 2 ↓
Mid Mid (pH 6-8) 1.81 7.54 -8.52 1 3 0 46 243.306 2 ↓

Analogs

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Popular Name: 3-[(3-Nitrophenyl)amino]cyclohex-2-en-1-one 3-[(3-Nitrophenyl)amino]cyclohex…

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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) 2.44 0.85 -21.76 1 5 0 74 232.239 3 ↓

Analogs

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Popular Name: 4-ethoxy-4-oxo-3-(1,3,4-trimethyl-2,6-dioxo-pyrimidin-5-yl)-butanoic 4-ethoxy-4-oxo-3-(1,3,4-trimethy…

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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) -3.11 2.58 -57.47 0 8 -1 110 297.287 6 ↓

Analogs

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Popular Name: 4-ethoxy-4-oxo-3-(1,3,4-trimethyl-2,6-dioxo-pyrimidin-5-yl)-butanoic 4-ethoxy-4-oxo-3-(1,3,4-trimethy…

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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) -3.11 2.22 -51.61 0 8 -1 110 297.287 6 ↓

Analogs

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Popular Name: 3-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)butanoic 3-(1,3-dimethyl-2,4-dioxo-pyrimi…

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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) -2.39 1.32 -54.75 0 6 -1 84 225.224 3 ↓

Analogs

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Popular Name: 3-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)butanoic 3-(1,3-dimethyl-2,4-dioxo-pyrimi…

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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) -2.39 1.34 -54.52 0 6 -1 84 225.224 3 ↓

Analogs

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Popular Name: 3-(1,3,4-trimethyl-2,6-dioxo-pyrimidin-5-yl)propanoic 3-(1,3,4-trimethyl-2,6-dioxo-pyr…

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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 4.27 -54.69 0 6 -1 84 225.224 3 ↓

Analogs

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Popular Name: 3-(1,3,4-trimethyl-2,6-dioxo-pyrimidin-5-yl)butanoic 3-(1,3,4-trimethyl-2,6-dioxo-pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.17 1.28 -54.32 0 6 -1 84 239.251 3 ↓

Analogs

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Popular Name: 3-(1,3,4-trimethyl-2,6-dioxo-pyrimidin-5-yl)butanoic 3-(1,3,4-trimethyl-2,6-dioxo-pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.17 1.21 -54.17 0 6 -1 84 239.251 3 ↓

Analogs

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Popular Name: 3-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)propanoic 3-(1,3-dimethyl-2,4-dioxo-pyrimi…

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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) -0.67 3.94 -55.13 0 6 -1 84 211.197 3 ↓

Analogs

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Popular Name: 8-methylquinoline-2,4-dithiol 8-methylquinoline-2,4-dithiol

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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) 2.98 6.96 -44.19 1 1 -1 16 206.315 0 ↓
Lo Low (pH 4.5-6) 2.98 6.53 -19.13 1 1 0 16 207.323 0 ↓

Analogs

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Popular Name: 3-[1-(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)ethylideneamino]benzoic 3-[1-(4-hydroxy-2-oxo-1-phenyl-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) 3.91 9.83 -122.69 0 6 -2 98 396.402 4 ↓
Lo Low (pH 4.5-6) 3.39 12.4 -54.63 1 6 -1 91 397.41 4 ↓

Analogs

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Popular Name: 4-hydroxy-3-[N-(2-hydroxy-1-naphthyl)-C-methyl-carbonimidoyl]-1-phenyl-quinolin-2-one 4-hydroxy-3-[N-(2-hydroxy-1-naph…

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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) 4.92 9.96 -59.35 1 5 -1 78 419.46 3 ↓
Lo Low (pH 4.5-6) 4.40 11.58 -12.08 2 5 0 71 420.468 3 ↓

Analogs

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Popular Name: 4-[1-(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)ethylideneamino]benzoic 4-[1-(4-hydroxy-2-oxo-1-phenyl-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) 3.94 9.8 -110.58 0 6 -2 98 396.402 4 ↓
Lo Low (pH 4.5-6) 3.42 12.37 -55.81 1 6 -1 91 397.41 4 ↓

Analogs

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Popular Name: 2-hydroxy-4-[1-(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)ethylideneamino]benzoic 2-hydroxy-4-[1-(4-hydroxy-2-oxo-…

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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) 3.94 7.84 -118.32 1 7 -2 118 412.401 4 ↓
Lo Low (pH 4.5-6) 3.42 10.44 -57.36 2 7 -1 111 413.409 4 ↓

Analogs

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Popular Name: 3-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminoethyl]-4-hydroxy-1-phenyl-quinolin-2-one 3-[1-(1,5-dimethyl-3-oxo-2-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) 3.41 12.44 -70.88 0 7 -1 84 463.517 4 ↓
Lo Low (pH 4.5-6) 2.90 13.25 -25.95 1 7 0 78 464.525 4 ↓

Analogs

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Popular Name: amino-methyl-phenyl-BLAHone amino-methyl-phenyl-BLAHone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 8.65 -11.6 3 6 0 90 317.352 1 ↓

Analogs

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Popular Name: 4-hydroxy-3-[C-methyl-N-[2-(2-pyridyl)ethyl]carbonimidoyl]-1-phenyl-quinolin-2-one 4-hydroxy-3-[C-methyl-N-[2-(2-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) 2.96 9.01 -55.81 0 5 -1 70 382.443 5 ↓
Mid Mid (pH 6-8) 3.81 8.45 -15.85 1 5 0 67 383.451 5 ↓
Lo Low (pH 4.5-6) 3.81 8.72 -38.96 2 5 1 69 384.459 5 ↓

Analogs

8101036
8101036

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Popular Name: 3-[N-(4-aminophenyl)-C-methyl-carbonimidoyl]-4-hydroxy-1-phenyl-quinolin-2-one 3-[N-(4-aminophenyl)-C-methyl-ca…

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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) 3.10 8.06 -56.44 2 5 -1 83 368.416 3 ↓
Lo Low (pH 4.5-6) 2.58 9.72 -10.89 3 5 0 77 369.424 3 ↓

Analogs

8101036
8101036

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Popular Name: 3-[N-(3-aminophenyl)-C-methyl-carbonimidoyl]-4-hydroxy-1-phenyl-quinolin-2-one 3-[N-(3-aminophenyl)-C-methyl-ca…

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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) 3.08 8.83 -52.35 2 5 -1 83 368.416 3 ↓

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