UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)naphthalene-1-carboxamide N-(4-methylsulfanylphenyl)naphth…

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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) 4.42 0.2 -10.99 1 2 0 29 293.391 3 ↓

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)naphthalene-1-carboxamide N-(4-methylsulfonylphenyl)naphth…

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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) 2.86 -3.07 -19.44 1 4 0 63 325.389 3 ↓

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)naphthalene-1-carboxamide N-(2-methylsulfonylphenyl)naphth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 -2.23 -13.68 1 4 0 63 325.389 3 ↓

Analogs

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Popular Name: 5-bromo-N-(4-iodo-2,5-dimethyl-phenyl)naphthalene-1-carboxamide 5-bromo-N-(4-iodo-2,5-dimethyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.58 11.8 -8.59 1 2 0 29 480.143 2 ↓

Analogs

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Popular Name: 2-[[4-[(4-methoxynaphthalene-1-carbonyl)amino]benzoyl]amino]acetic 2-[[4-[(4-methoxynaphthalene-1-c…

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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) 1.52 6.37 -52.77 2 7 -1 108 377.376 6 ↓

Analogs

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Popular Name: 3-[(4-methoxynaphthalene-1-carbonyl)amino]-4-methyl-benzoic 3-[(4-methoxynaphthalene-1-carbo…

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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) 4.28 8.66 -70.27 1 5 -1 78 334.351 4 ↓

Analogs

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Popular Name: 3-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 3-[(4-methoxynaphthalene-1-carbo…

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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) 3.88 7.76 -69.28 1 5 -1 78 320.324 4 ↓

Analogs

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Popular Name: 4-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 4-[(4-methoxynaphthalene-1-carbo…

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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 7.78 -58.53 1 5 -1 78 320.324 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 5-chloro-2-[(4-methoxynaphthalen…

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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) 4.69 8.63 -47.79 1 5 -1 78 354.769 4 ↓

Analogs

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Popular Name: 5-bromo-2-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 5-bromo-2-[(4-methoxynaphthalene…

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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) 4.83 8.74 -47.78 1 5 -1 78 399.22 4 ↓

Analogs

13169019
13169019

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Popular Name: 4,5-dimethoxy-2-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 4,5-dimethoxy-2-[(4-methoxynapht…

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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) 3.66 7.32 -51.35 1 7 -1 97 380.376 6 ↓

Analogs

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Popular Name: 5-chloro-2-methoxy-4-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 5-chloro-2-methoxy-4-[(4-methoxy…

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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) 4.58 8.46 -57.58 1 6 -1 88 384.795 5 ↓

Analogs

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Popular Name: 2-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 2-[(4-methoxynaphthalene-1-carbo…

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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) 4.04 8.08 -52.94 1 5 -1 78 320.324 4 ↓

Analogs

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Popular Name: (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoic (E)-3-[4-(naphthalene-1-carbonyl…

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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) 3.96 9.65 -58.21 1 4 -1 69 316.336 4 ↓

Analogs

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Popular Name: (E)-3-[4-[(4-methoxynaphthalene-1-carbonyl)amino]phenyl]prop-2-enoic (E)-3-[4-[(4-methoxynaphthalene-…

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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) 3.97 8.99 -58.15 1 5 -1 78 346.362 5 ↓

Analogs

34345301
34345301

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Popular Name: N-methyl-N-phenyl-naphthalene-1-carboxamide N-methyl-N-phenyl-naphthalene-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) 4.23 9.85 -11.26 0 2 0 20 261.324 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 4-chloro-2-[(4-methoxynaphthalen…

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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) 4.69 8.61 -47.55 1 5 -1 78 354.769 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 4-chloro-3-[(4-methoxynaphthalen…

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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) 4.51 8.41 -60.44 1 5 -1 78 354.769 4 ↓

Analogs

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Popular Name: 5-[(4-methoxynaphthalene-1-carbonyl)amino]benzene-1,3-dicarboxylic 5-[(4-methoxynaphthalene-1-carbo…

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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 7.37 -125.27 1 7 -2 119 363.325 5 ↓

Analogs

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Popular Name: 4-fluoro-2-[(4-methoxynaphthalene-1-carbonyl)amino]benzoic 4-fluoro-2-[(4-methoxynaphthalen…

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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) 4.18 8.15 -47.13 1 5 -1 78 338.314 4 ↓

Analogs

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Popular Name: 5-bromo-N-(2,3-dichlorophenyl)-1-naphthamide 5-bromo-N-(2,3-dichlorophenyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.01 -0.25 -6.63 1 2 0 29 395.083 2 ↓

Analogs

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Popular Name: 5-chloro-N-phenyl-naphthalene-1-carboxamide 5-chloro-N-phenyl-naphthalene-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) 4.62 9.21 -9.25 1 2 0 29 281.742 2 ↓

Analogs

4741176
4741176

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Popular Name: 5-chloro-N-(o-tolyl)naphthalene-1-carboxamide 5-chloro-N-(o-tolyl)naphthalene-…

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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) 5.02 10.08 -9.07 1 2 0 29 295.769 2 ↓

Analogs

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Popular Name: 5-chloro-N-(2-ethylphenyl)naphthalene-1-carboxamide 5-chloro-N-(2-ethylphenyl)naphth…

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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) 5.48 10.85 -8.59 1 2 0 29 309.796 3 ↓

Analogs

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Popular Name: 5-chloro-N-(m-tolyl)naphthalene-1-carboxamide 5-chloro-N-(m-tolyl)naphthalene-…

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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) 5.04 9.86 -9.35 1 2 0 29 295.769 2 ↓

Analogs

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Popular Name: 5-chloro-N-(p-tolyl)naphthalene-1-carboxamide 5-chloro-N-(p-tolyl)naphthalene-…

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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) 5.07 9.88 -9.23 1 2 0 29 295.769 2 ↓

Analogs

4868699
4868699

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Popular Name: 5-chloro-N-(4-ethylphenyl)naphthalene-1-carboxamide 5-chloro-N-(4-ethylphenyl)naphth…

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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) 5.53 10.65 -9.06 1 2 0 29 309.796 3 ↓

Analogs

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Popular Name: 5-chloro-N-(2-ethyl-6-methyl-phenyl)naphthalene-1-carboxamide 5-chloro-N-(2-ethyl-6-methyl-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) 4.95 11.4 -8.28 1 2 0 29 323.823 3 ↓

Analogs

3637924
3637924

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Popular Name: 5-chloro-N-(2-ethoxyphenyl)naphthalene-1-carboxamide 5-chloro-N-(2-ethoxyphenyl)napht…

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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) 5.00 9.56 -8.32 1 3 0 38 325.795 4 ↓

Analogs

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Popular Name: 5-chloro-N-(2-chlorophenyl)naphthalene-1-carboxamide 5-chloro-N-(2-chlorophenyl)napht…

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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) 5.25 9.83 -7.4 1 2 0 29 316.187 2 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-5-chloro-naphthalene-1-carboxamide N-(2-bromophenyl)-5-chloro-napht…

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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) 5.38 9.96 -7.25 1 2 0 29 360.638 2 ↓

Analogs

2597357
2597357

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Popular Name: 5-chloro-N-(3-chlorophenyl)naphthalene-1-carboxamide 5-chloro-N-(3-chlorophenyl)napht…

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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) 5.27 9.73 -10.56 1 2 0 29 316.187 2 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-5-chloro-naphthalene-1-carboxamide N-(3-bromophenyl)-5-chloro-napht…

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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) 5.40 9.83 -10.52 1 2 0 29 360.638 2 ↓

Analogs

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Popular Name: 5-chloro-N-(4-chlorophenyl)naphthalene-1-carboxamide 5-chloro-N-(4-chlorophenyl)napht…

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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) 5.30 9.73 -8.93 1 2 0 29 316.187 2 ↓

Analogs

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Popular Name: 5-chloro-N-(3-chloro-2-methyl-phenyl)naphthalene-1-carboxamide 5-chloro-N-(3-chloro-2-methyl-ph…

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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) 5.65 10.54 -8.1 1 2 0 29 330.214 2 ↓

Analogs

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Popular Name: 5-chloro-N-(3-chloro-4-methyl-phenyl)naphthalene-1-carboxamide 5-chloro-N-(3-chloro-4-methyl-ph…

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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) 5.67 10.32 -10.7 1 2 0 29 330.214 2 ↓

Analogs

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Popular Name: 5-chloro-N-(5-chloro-2-methyl-phenyl)naphthalene-1-carboxamide 5-chloro-N-(5-chloro-2-methyl-ph…

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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) 5.67 10.62 -10.39 1 2 0 29 330.214 2 ↓

Analogs

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Popular Name: 5-chloro-N-(2,3-dichlorophenyl)naphthalene-1-carboxamide 5-chloro-N-(2,3-dichlorophenyl)n…

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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) 5.88 10.31 -6.71 1 2 0 29 350.632 2 ↓

Analogs

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Popular Name: 5-chloro-N-(3,4-dichlorophenyl)naphthalene-1-carboxamide 5-chloro-N-(3,4-dichlorophenyl)n…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.90 10.16 -10.66 1 2 0 29 350.632 2 ↓

Analogs

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Popular Name: 5-chloro-N-(3-chloro-4-fluoro-phenyl)naphthalene-1-carboxamide 5-chloro-N-(3-chloro-4-fluoro-ph…

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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) 5.39 9.75 -11.4 1 2 0 29 334.177 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) 4.79 9.89 -11.68 1 4 0 55 339.778 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) 5.16 10.8 -11.49 1 4 0 55 353.805 5 ↓

Analogs

9064347
9064347

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Popular Name: 5-chloro-N-(4-dimethylaminophenyl)naphthalene-1-carboxamide 5-chloro-N-(4-dimethylaminopheny…

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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) 4.72 9.63 -10.07 1 3 0 32 324.811 3 ↓

Analogs

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Popular Name: 5-chloro-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide 5-chloro-N-[3-(trifluoromethyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.49 10.19 -11.78 1 2 0 29 349.739 3 ↓

Analogs

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Popular Name: 5-chloro-N-(2-nitrophenyl)naphthalene-1-carboxamide 5-chloro-N-(2-nitrophenyl)naphth…

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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) 4.53 10.2 -9.61 1 5 0 75 326.739 3 ↓

Analogs

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Popular Name: 5-chloro-N-(4-fluoro-3-nitro-phenyl)naphthalene-1-carboxamide 5-chloro-N-(4-fluoro-3-nitro-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) 4.67 9.9 -11.87 1 5 0 75 344.729 3 ↓

Analogs

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Popular Name: 5-chloro-N-(2-chloro-5-nitro-phenyl)naphthalene-1-carboxamide 5-chloro-N-(2-chloro-5-nitro-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) 5.18 10.48 -11.78 1 5 0 75 361.184 3 ↓

Analogs

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Popular Name: 5-chloro-N-(4-nitrophenyl)naphthalene-1-carboxamide 5-chloro-N-(4-nitrophenyl)naphth…

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Activity (Go SEA)

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) 4.58 9.88 -12.85 1 5 0 75 326.739 3 ↓

Analogs

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Popular Name: 5-chloro-N-(2-methyl-4-nitro-phenyl)naphthalene-1-carboxamide 5-chloro-N-(2-methyl-4-nitro-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) 4.95 10.76 -12.28 1 5 0 75 340.766 3 ↓

Analogs

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Popular Name: 5-chloro-N-(4-sulfamoylphenyl)naphthalene-1-carboxamide 5-chloro-N-(4-sulfamoylphenyl)na…

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Activity (Go SEA)

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) 3.31 4.17 -16.88 3 5 0 89 360.822 3 ↓

Parameters Provided:

ring.id = 9907
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 9907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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