UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)naphthalene-2-carboxamide N-(4-methyl-3-sulfamoyl-phenyl)n…

Find On: PubMed — Wikipedia — Google

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) 3.08 -5.06 -21 3 5 0 89 340.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)naphthalene-2-carboxamide N-(4-methylsulfanylphenyl)naphth…

Find On: PubMed — Wikipedia — Google

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) 4.45 0.21 -10.99 1 2 0 29 293.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide N-(4-methylsulfonylphenyl)naphth…

Find On: PubMed — Wikipedia — Google

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) 2.88 -3.06 -18.37 1 4 0 63 325.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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) 3.27 -2.22 -12.61 1 4 0 63 325.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[4-(cyanomethyl)phenyl]-3-methoxy-naphthalene-2-carboxamide 4-bromo-N-[4-(cyanomethyl)phenyl…

Find On: PubMed — Wikipedia — Google

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) 5.25 10.98 -20.8 1 4 0 62 395.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-1-hydroxy-naphthalene-2-carboxamide N-(3-aminophenyl)-1-hydroxy-naph…

Find On: PubMed — Wikipedia — Google

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) 3.32 5.2 -11.66 4 4 0 75 278.311 2 ↓
Mid Mid (pH 6-8) 3.32 6.1 -59.97 3 4 -1 78 277.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromophenyl)-1-hydroxy-naphthalene-2-carboxamide N-(3-bromophenyl)-1-hydroxy-naph…

Find On: PubMed — Wikipedia — Google

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) 5.05 7.98 -11.98 2 3 0 49 342.192 2 ↓
Mid Mid (pH 6-8) 5.05 8.88 -59.3 1 3 -1 52 341.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-methoxy-N-(4-methoxy-3-nitro-phenyl)naphthalene-2-carboxamide 4-bromo-3-methoxy-N-(4-methoxy-3…

Find On: PubMed — Wikipedia — Google

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) 5.23 10.56 -15.36 1 7 0 93 431.242 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-methoxy-N-(2-methyl-4-nitro-phenyl)naphthalene-2-carboxamide 4-bromo-3-methoxy-N-(2-methyl-4-…

Find On: PubMed — Wikipedia — Google

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) 5.62 11.32 -15.47 1 6 0 84 415.243 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoyl]amino]acetic 2-[[4-[(3-ethoxynaphthalene-2-ca…

Find On: PubMed — Wikipedia — Google

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) 2.45 8.37 -55.44 2 7 -1 108 391.403 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-ethoxynaphthalene-2-carbonyl)amino]-4-methyl-benzoic 3-[(3-ethoxynaphthalene-2-carbon…

Find On: PubMed — Wikipedia — Google

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) 5.21 10.58 -72.56 1 5 -1 78 348.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoic 3-[(3-ethoxynaphthalene-2-carbon…

Find On: PubMed — Wikipedia — Google

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) 4.81 9.77 -71.39 1 5 -1 78 334.351 5 ↓

Analogs

8382761
8382761

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoic 4-[(3-ethoxynaphthalene-2-carbon…

Find On: PubMed — Wikipedia — Google

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) 4.83 9.79 -60.03 1 5 -1 78 334.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoic 5-chloro-2-[(3-ethoxynaphthalene…

Find On: PubMed — Wikipedia — Google

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) 5.62 10.55 -49.6 1 5 -1 78 368.796 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-ethoxynaphthalene-2-carbonyl)amino]-4,5-dimethoxy-benzoic 2-[(3-ethoxynaphthalene-2-carbon…

Find On: PubMed — Wikipedia — Google

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) 4.59 9.38 -53.15 1 7 -1 97 394.403 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[(3-ethoxynaphthalene-2-carbonyl)amino]-2-methoxy-benzoic 5-chloro-4-[(3-ethoxynaphthalene…

Find On: PubMed — Wikipedia — Google

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) 5.50 10.47 -58.64 1 6 -1 88 398.822 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoic 2-[(3-ethoxynaphthalene-2-carbon…

Find On: PubMed — Wikipedia — Google

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) 4.96 10.12 -54.86 1 5 -1 78 334.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethynylphenyl)naphthalene-2-carboxamide N-(3-ethynylphenyl)naphthalene-2…

Find On: PubMed — Wikipedia — Google

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) 3.75 9.96 -15.87 1 2 0 29 271.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[(6-methoxynaphthalene-2-carbonyl)amino]phenyl]prop-2-enoic (E)-3-[4-[(6-methoxynaphthalene-…

Find On: PubMed — Wikipedia — Google

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) 4.02 8.92 -57.07 1 5 -1 78 346.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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) 4.89 11 -59.55 1 5 -1 78 360.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoic 4-chloro-2-[(3-ethoxynaphthalene…

Find On: PubMed — Wikipedia — Google

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) 5.62 10.56 -49.23 1 5 -1 78 368.796 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoic 4-chloro-3-[(3-ethoxynaphthalene…

Find On: PubMed — Wikipedia — Google

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) 5.44 10.37 -62.63 1 5 -1 78 368.796 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-ethoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic 5-[(3-ethoxynaphthalene-2-carbon…

Find On: PubMed — Wikipedia — Google

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) 4.67 9.39 -127.31 1 7 -2 119 377.352 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-ethoxynaphthalene-2-carbonyl)amino]-4-fluoro-benzoic 2-[(3-ethoxynaphthalene-2-carbon…

Find On: PubMed — Wikipedia — Google

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) 5.10 10.11 -48.92 1 5 -1 78 352.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethoxy-N-phenyl-naphthalene-2-carboxamide 1,3-dimethoxy-N-phenyl-naphthale…

Find On: PubMed — Wikipedia — Google

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) 3.98 7.6 -13.41 1 4 0 48 307.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-methoxy-N-phenyl-naphthalene-2-carboxamide 4-bromo-3-methoxy-N-phenyl-napht…

Find On: PubMed — Wikipedia — Google

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) 5.28 9.81 -12.49 1 3 0 38 356.219 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxy-3-nitro-phenyl)naphthalene-2-carboxamide N-(4-methoxy-3-nitro-phenyl)naph…

Find On: PubMed — Wikipedia — Google

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) 3.96 9.53 -21.42 1 6 0 84 322.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-(4-methoxy-3-nitro-phenyl)naphthalene-2-carboxamide 3-methoxy-N-(4-methoxy-3-nitro-p…

Find On: PubMed — Wikipedia — Google

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) 4.49 9.97 -24.45 1 7 0 93 352.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide N-[2-chloro-4-(trifluoromethyl)p…

Find On: PubMed — Wikipedia — Google

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) 5.51 10.41 -6.75 1 2 0 29 349.739 3 ↓

Analogs

36737703
36737703

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-5-(propanoylamino)phenyl]naphthalene-2-carboxamide N-[2-chloro-5-(propanoylamino)ph…

Find On: PubMed — Wikipedia — Google

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) 4.67 9.11 -11.04 2 4 0 58 352.821 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-butylphenyl)-2-naphthamide N-(4-butylphenyl)-2-naphthamide

Find On: PubMed — Wikipedia — Google

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) 5.88 1.29 -9.65 1 2 0 29 303.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)naphthalene-2-carboxamide N-(2-bromo-4,5-dimethoxy-phenyl)…

Find On: PubMed — Wikipedia — Google

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) 4.39 8.75 -9.68 1 4 0 48 386.245 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-carbamoyl-2-chloro-phenyl)naphthalene-2-carboxamide N-(5-carbamoyl-2-chloro-phenyl)n…

Find On: PubMed — Wikipedia — Google

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) 3.44 6.19 -17.64 3 4 0 72 324.767 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(o-tolylcarbamoyl)-2-naphthyl] [3-(o-tolylcarbamoyl)-2-naphthyl]

Find On: PubMed — Wikipedia — Google

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) 5.22 13.15 -14.85 1 5 0 65 391.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(butanoylamino)-2-methyl-phenyl]naphthalene-2-carboxamide N-[3-(butanoylamino)-2-methyl-ph…

Find On: PubMed — Wikipedia — Google

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) 4.98 10.34 -16.54 2 4 0 58 346.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-hydroxy-phenyl)naphthalene-2-carboxamide N-(3-fluoro-4-hydroxy-phenyl)nap…

Find On: PubMed — Wikipedia — Google

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) 3.88 5.99 -13.82 2 3 0 49 281.286 2 ↓
Hi High (pH 8-9.5) 3.88 6.75 -54.38 1 3 -1 52 280.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide N-[4-(hydroxymethyl)phenyl]napht…

Find On: PubMed — Wikipedia — Google

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) 3.35 6.11 -12.52 2 3 0 49 277.323 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-hydroxy-2-methyl-phenyl)naphthalene-2-carboxamide N-(3-hydroxy-2-methyl-phenyl)nap…

Find On: PubMed — Wikipedia — Google

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) 4.35 6.86 -10.32 2 3 0 49 277.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-hydroxy-4-methyl-phenyl)naphthalene-2-carboxamide N-(3-hydroxy-4-methyl-phenyl)nap…

Find On: PubMed — Wikipedia — Google

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) 4.38 6.68 -13.02 2 3 0 49 277.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-hydroxy-phenyl)naphthalene-2-carboxamide N-(2-fluoro-4-hydroxy-phenyl)nap…

Find On: PubMed — Wikipedia — Google

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) 3.62 6.02 -9.26 2 3 0 49 281.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-hydroxy-phenyl)naphthalene-2-carboxamide N-(4-chloro-3-hydroxy-phenyl)nap…

Find On: PubMed — Wikipedia — Google

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) 4.40 6.49 -11.52 2 3 0 49 297.741 2 ↓
Hi High (pH 8-9.5) 4.40 7.24 -56.04 1 3 -1 52 296.733 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-hydroxy-phenyl)naphthalene-2-carboxamide N-(2-chloro-4-hydroxy-phenyl)nap…

Find On: PubMed — Wikipedia — Google

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) 4.14 6.55 -8.89 2 3 0 49 297.741 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2-methoxyphenyl)carbamoyl]-2-naphthyl] [3-[(2-methoxyphenyl)carbamoyl]-…

Find On: PubMed — Wikipedia — Google

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) 5.28 11.66 -14.88 1 5 0 65 363.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(o-tolylcarbamoyl)-2-naphthyl] [3-(o-tolylcarbamoyl)-2-naphthyl]

Find On: PubMed — Wikipedia — Google

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) 4.76 12.21 -16.84 1 5 0 65 377.44 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)naphthalene-2-carboxamide N-(2-amino-6-methyl-phenyl)napht…

Find On: PubMed — Wikipedia — Google

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) 3.85 7.6 -10.25 3 3 0 55 276.339 2 ↓

Parameters Provided:

ring.id = 5815
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 = 5815 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5815&filter.purchasability=annotated

Embed Link to Results