UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[(3-fluorophenyl)methoxy]-1-naphthyl]methanamine [2-[(3-fluorophenyl)methoxy]-1-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) 4.02 8.05 -42.35 3 2 1 37 282.338 4 ↓

Analogs

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Popular Name: (2-benzyloxy-1-naphthyl)methanamine (2-benzyloxy-1-naphthyl)methanamine

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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) 3.89 7.99 -40.96 3 2 1 37 264.348 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-[(3-fluorophenyl)methoxy]naphthalene 1-(chloromethyl)-2-[(3-fluorophe…

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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) 5.42 11.34 -7.39 0 1 0 9 300.76 4 ↓

Analogs

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Popular Name: 2-benzyloxy-1-(chloromethyl)naphthalene 2-benzyloxy-1-(chloromethyl)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) 5.28 11.27 -6.18 0 1 0 9 282.77 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene 1-(chloromethyl)-2-[(3-chlorophe…

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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) 5.93 11.78 -6.69 0 1 0 9 317.215 4 ↓

Analogs

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Popular Name: 2-[(2-bromophenyl)methoxy]-1-(chloromethyl)naphthalene 2-[(2-bromophenyl)methoxy]-1-(ch…

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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) 6.04 11.95 -5.39 0 1 0 9 361.666 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-[(2-chlorophenyl)methoxy]naphthalene 1-(chloromethyl)-2-[(2-chlorophe…

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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) 5.91 11.85 -5.45 0 1 0 9 317.215 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-[(2-fluorophenyl)methoxy]naphthalene 1-(chloromethyl)-2-[(2-fluorophe…

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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 11.43 -5.84 0 1 0 9 300.76 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-[(4-chlorophenyl)methoxy]naphthalene 1-(chloromethyl)-2-[(4-chlorophe…

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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) 5.95 11.79 -6.24 0 1 0 9 317.215 4 ↓

Analogs

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Popular Name: 2-[(3-bromophenyl)methoxy]-1-(chloromethyl)naphthalene 2-[(3-bromophenyl)methoxy]-1-(ch…

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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) 6.06 11.89 -6.69 0 1 0 9 361.666 4 ↓

Analogs

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Popular Name: 2-[(4-bromophenyl)methoxy]-1-(chloromethyl)naphthalene 2-[(4-bromophenyl)methoxy]-1-(ch…

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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) 6.09 11.9 -6.22 0 1 0 9 361.666 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-(o-tolylmethoxy)naphthalene 1-(chloromethyl)-2-(o-tolylmetho…

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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) 5.68 11.96 -6.41 0 1 0 9 296.797 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-(m-tolylmethoxy)naphthalene 1-(chloromethyl)-2-(m-tolylmetho…

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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) 5.70 11.94 -6.25 0 1 0 9 296.797 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-[(4-fluorophenyl)methoxy]naphthalene 1-(chloromethyl)-2-[(4-fluorophe…

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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) 5.44 11.34 -6.79 0 1 0 9 300.76 4 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-(p-tolylmethoxy)naphthalene 1-(chloromethyl)-2-(p-tolylmetho…

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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) 5.72 11.95 -6.2 0 1 0 9 296.797 4 ↓

Analogs

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Popular Name: [2-[(3-bromophenyl)methoxy]-1-naphthyl]methanol [2-[(3-bromophenyl)methoxy]-1-na…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 7.93 -8.72 1 2 0 29 343.22 4 ↓

Analogs

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Popular Name: [2-[(4-bromophenyl)methoxy]-1-naphthyl]methanol [2-[(4-bromophenyl)methoxy]-1-na…

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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) 4.85 7.94 -8.26 1 2 0 29 343.22 4 ↓

Analogs

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Popular Name: [2-(o-tolylmethoxy)-1-naphthyl]methanol [2-(o-tolylmethoxy)-1-naphthyl]m…

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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) 4.44 8 -8.73 1 2 0 29 278.351 4 ↓

Analogs

43457413
43457413
43457414
43457414

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Popular Name: [2-(m-tolylmethoxy)-1-naphthyl]methanol [2-(m-tolylmethoxy)-1-naphthyl]m…

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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) 4.46 7.98 -8.59 1 2 0 29 278.351 4 ↓

Analogs

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Popular Name: [2-[(3-chlorophenyl)methoxy]-1-naphthyl]methanol [2-[(3-chlorophenyl)methoxy]-1-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) 4.69 7.83 -8.79 1 2 0 29 298.769 4 ↓

Analogs

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Popular Name: [2-[(2-bromophenyl)methoxy]-1-naphthyl]methanol [2-[(2-bromophenyl)methoxy]-1-na…

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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) 4.80 8 -7.74 1 2 0 29 343.22 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(3-fluorophen…

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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) 5.55 11.45 -7.09 0 1 0 9 345.211 4 ↓

Analogs

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Popular Name: 2-benzyloxy-1-(bromomethyl)naphthalene 2-benzyloxy-1-(bromomethyl)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) 5.41 11.38 -5.84 0 1 0 9 327.221 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(3-chlorophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(3-chlorophen…

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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) 6.06 11.89 -6.39 0 1 0 9 361.666 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(2-bromophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(2-bromopheny…

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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) 6.17 12.06 -5.09 0 1 0 9 406.117 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(2-chlorophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(2-chlorophen…

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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) 6.04 11.96 -5.16 0 1 0 9 361.666 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(2-fluorophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(2-fluorophen…

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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 11.54 -5.54 0 1 0 9 345.211 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(4-chlorophen…

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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) 6.09 11.9 -5.95 0 1 0 9 361.666 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(3-bromophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(3-bromopheny…

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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) 6.19 12 -6.36 0 1 0 9 406.117 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(4-bromophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(4-bromopheny…

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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) 6.22 12.01 -5.94 0 1 0 9 406.117 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-(o-tolylmethoxy)naphthalene 1-(bromomethyl)-2-(o-tolylmethox…

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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) 5.81 12.07 -6.1 0 1 0 9 341.248 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-(m-tolylmethoxy)naphthalene 1-(bromomethyl)-2-(m-tolylmethox…

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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) 5.83 12.05 -5.87 0 1 0 9 341.248 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-[(4-fluorophenyl)methoxy]naphthalene 1-(bromomethyl)-2-[(4-fluorophen…

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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) 5.57 11.45 -6.51 0 1 0 9 345.211 4 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-(p-tolylmethoxy)naphthalene 1-(bromomethyl)-2-(p-tolylmethox…

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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) 5.86 12.06 -5.88 0 1 0 9 341.248 4 ↓

Analogs

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Popular Name: (Z)-3-[2-[(3-chlorophenyl)methoxy]-1-naphthyl]prop-2-enoic (Z)-3-[2-[(3-chlorophenyl)methox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.15 1.37 -60.17 0 3 -1 49 337.782 5 ↓

Analogs

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Popular Name: (E)-3-[2-[(3-chlorophenyl)methoxy]-1-naphthyl]prop-2-enoic (E)-3-[2-[(3-chlorophenyl)methox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.15 1.35 -60.45 0 3 -1 49 337.782 5 ↓

Analogs

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Popular Name: 2-[2-[(4-fluorophenyl)methoxy]-1-naphthyl]ethanamine 2-[2-[(4-fluorophenyl)methoxy]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 -0.57 -46.29 3 2 1 37 296.365 5 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenyl)methoxy]-1-naphthyl]ethanamine 2-[2-[(2,4-dichlorophenyl)methox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.97 -1.51 -50.62 3 2 1 37 347.265 5 ↓

Analogs

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Popular Name: 2-cyano-N-[[2-(o-tolylmethoxy)-1-naphthyl]methyl]acetamide 2-cyano-N-[[2-(o-tolylmethoxy)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 1.15 -17.9 1 4 0 62 344.414 6 ↓

Analogs

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Popular Name: (E)-2-cyano-3-[2-(m-tolylmethoxy)-1-naphthyl]prop-2-enoic (E)-2-cyano-3-[2-(m-tolylmethoxy…

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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) 4.64 3.09 -56.92 0 4 -1 73 342.374 5 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-[2-(m-tolylmethoxy)-1-naphthyl]prop-2-enoic (Z)-2-cyano-3-[2-(m-tolylmethoxy…

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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) 4.64 3.28 -56.46 0 4 -1 73 342.374 5 ↓

Analogs

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Popular Name: 2-[(3,4-dichlorophenyl)methoxy]naphthalene-1-carboxylic 2-[(3,4-dichlorophenyl)methoxy]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) 5.56 0.72 -68.05 0 3 -1 49 346.189 4 ↓

Analogs

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Popular Name: 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde 2-[(2,4-dichlorophenyl)methoxy]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) 6.40 9.26 -7.24 1 3 0 42 346.213 4 ↓

Analogs

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Popular Name: N-[2-[2-[(4-chlorophenyl)methoxy]-1-naphthyl]ethyl]-2-cyano-acetamide N-[2-[2-[(4-chlorophenyl)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) 4.12 0.81 -20.11 1 4 0 62 378.859 7 ↓

Analogs

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Popular Name: 2-cyano-N-[[2-[(4-fluorophenyl)methoxy]-1-naphthyl]methyl]acetamide 2-cyano-N-[[2-[(4-fluorophenyl)m…

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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) 3.20 1.52 -19.51 1 4 0 62 348.377 6 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)methoxy]naphthalene-1-carboxylic 2-[(4-chlorophenyl)methoxy]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) 4.95 0.85 -68.44 0 3 -1 49 311.744 4 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methoxy]naphthalene-1-carbothioamide 2-[(4-fluorophenyl)methoxy]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) 4.66 -1.35 -16.42 2 2 0 35 311.381 4 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]-1-naphthyl]prop-2-enoic (Z)-2-cyano-3-[2-[(2-fluoropheny…

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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) 4.33 3.78 -53.9 0 4 -1 73 346.337 5 ↓

Analogs

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Popular Name: (E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]-1-naphthyl]prop-2-enoic (E)-2-cyano-3-[2-[(2-fluoropheny…

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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) 4.33 3.58 -54.98 0 4 -1 73 346.337 5 ↓

Analogs

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Popular Name: 4-[[2-(o-tolylmethoxy)-1-naphthyl]methylamino]-4-oxo-butanoic 4-[[2-(o-tolylmethoxy)-1-naphthy…

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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) 3.77 -0.45 -54.48 1 5 -1 78 376.432 8 ↓

Parameters Provided:

ring.id = 19627
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 = 19627 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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