UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25379481
25379481
25379487
25379487

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Popular Name: N-benzyl-N-(2-hydroxyethyl)-3-phenyl-benzo[c]isoxazole-5-carboxamide N-benzyl-N-(2-hydroxyethyl)-3-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) 3.36 0.2 -13.49 1 5 0 66 372.424 6 ↓

Analogs

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Popular Name: N-methyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide N-methyl-N-[2-[(5-methylisoxazol…

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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) 2.59 8.72 -20.65 1 8 0 101 390.399 5 ↓

Analogs

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Popular Name: (4-methylsulfonylpiperazin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone (4-methylsulfonylpiperazin-1-yl)…

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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) 1.86 5.91 -20.25 0 7 0 84 385.445 3 ↓

Analogs

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Popular Name: (3-phenylbenzo[c]isoxazol-5-yl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (3-phenylbenzo[c]isoxazol-5-yl)-…

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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) 3.86 0.84 -10.69 0 4 0 46 360.438 2 ↓

Analogs

39884389
39884389
39884392
39884392
39884395
39884395
39884399
39884399
39884400
39884400

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Popular Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide (E)-N-(3-chlorophenyl)-2-cyano-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) 5.53 11.39 -12.32 1 5 0 79 399.837 4 ↓

Analogs

39895726
39895726

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Popular Name: 3-(4-chlorophenyl)-5-[(E)-styryl]-2,1-benzoxazole 3-(4-chlorophenyl)-5-[(E)-styryl…

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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) 6.86 12.91 -8.23 0 2 0 26 331.802 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-triazole-4-carboxamide N-(5-chloro-2-methoxy-phenyl)-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) 6.11 11.1 -11.47 1 8 0 95 487.947 7 ↓

Analogs

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Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-en-1-one (E)-3-[5-(3-chloro-4-methyl-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) 7.55 15.33 -11.3 0 4 0 56 439.898 5 ↓

Analogs

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Popular Name: (E)-3-[5-(4-nitrophenyl)-2-furyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-en-1-one (E)-3-[5-(4-nitrophenyl)-2-furyl…

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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) 6.45 14.48 -17.66 0 7 0 102 436.423 6 ↓

Analogs

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Popular Name: (E)-3-[5-(2,4-dichlorophenyl)-2-furyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-en-1-one (E)-3-[5-(2,4-dichlorophenyl)-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) 7.78 15.31 -11.59 0 4 0 56 460.316 5 ↓

Analogs

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Popular Name: (E)-3-[5-(3-nitrophenyl)-2-furyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-en-1-one (E)-3-[5-(3-nitrophenyl)-2-furyl…

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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) 6.43 14.49 -20.23 0 7 0 102 436.423 6 ↓

Analogs

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Popular Name: morpholino-[3-(p-tolyl)-2,1-benzoxazol-5-yl]methanethione morpholino-[3-(p-tolyl)-2,1-benz…

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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) 4.34 9.34 -12.83 0 4 0 39 338.432 3 ↓

Analogs

36636076
36636076

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Popular Name: 2-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-(3-phenyl-2,1-benzo 2-[(5S)-4-methoxy-6-methyl-7,8-d…

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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) 4.87 10.48 -15.47 0 7 0 74 456.498 5 ↓
Mid Mid (pH 6-8) 4.87 12.33 -54.28 1 7 1 75 457.506 5 ↓

Analogs

36636075
36636075

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Popular Name: 2-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-(3-phenyl-2,1-benzo 2-[(5R)-4-methoxy-6-methyl-7,8-d…

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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) 4.87 10.42 -16.28 0 7 0 74 456.498 5 ↓
Mid Mid (pH 6-8) 4.87 12.32 -56.6 1 7 1 75 457.506 5 ↓

Analogs

36636078
36636078

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Popular Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-2-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4, 1-[3-(4-chlorophenyl)-2,1-benzox…

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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 -14.13 0 7 0 74 490.943 5 ↓
Mid Mid (pH 6-8) 5.55 12.85 -53.6 1 7 1 75 491.951 5 ↓

Analogs

36636077
36636077

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Popular Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-2-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4, 1-[3-(4-chlorophenyl)-2,1-benzox…

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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 10.94 -14.79 0 7 0 74 490.943 5 ↓
Mid Mid (pH 6-8) 5.55 12.85 -56.1 1 7 1 75 491.951 5 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide N-(3-chlorophenyl)-5-ethyl-1-(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) 5.60 10.87 -11.35 1 7 0 86 443.894 5 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide N-(4-chlorophenyl)-5-ethyl-1-(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) 5.63 10.87 -10.15 1 7 0 86 443.894 5 ↓

Analogs

21729321
21729321

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Popular Name: 5-ethyl-N-(3-fluorophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(3-fluorophenyl)-1-(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) 5.09 10.45 -11.95 1 7 0 86 427.439 5 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide N-(2,5-dimethylphenyl)-5-ethyl-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) 5.77 11.9 -10.7 1 7 0 86 437.503 5 ↓

Analogs

36639820
36639820

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Popular Name: N-(3,4-dimethylphenyl)-5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide N-(3,4-dimethylphenyl)-5-ethyl-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) 5.77 11.57 -11 1 7 0 86 437.503 5 ↓

Analogs

36639822
36639822

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Popular Name: 5-ethyl-N-(o-tolyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(o-tolyl)-1-(3-phenyl-…

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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) 5.35 11.23 -10.54 1 7 0 86 423.476 5 ↓

Analogs

36639821
36639821
33026801
33026801

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Popular Name: 5-ethyl-N-(4-ethylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(4-ethylphenyl)-1-(3-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) 5.86 11.82 -10.64 1 7 0 86 437.503 6 ↓

Analogs

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Popular Name: 5-ethyl-N-(4-fluorophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(4-fluorophenyl)-1-(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) 5.11 10.42 -10.63 1 7 0 86 427.439 5 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide N-(4-ethoxyphenyl)-5-ethyl-1-(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) 5.38 10.56 -11.39 1 8 0 95 453.502 7 ↓

Analogs

36639815
36639815

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Popular Name: 5-ethyl-N-(m-tolyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(m-tolyl)-1-(3-phenyl-…

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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) 5.37 11.03 -10.91 1 7 0 86 423.476 5 ↓

Analogs

36639817
36639817
33026801
33026801

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Popular Name: 5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-(p-tolyl)triazole-4-carboxamide 5-ethyl-1-(3-phenyl-2,1-benzoxaz…

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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 11.03 -10.79 1 7 0 86 423.476 5 ↓

Analogs

36639816
36639816

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Popular Name: N-(2,4-dimethylphenyl)-5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide N-(2,4-dimethylphenyl)-5-ethyl-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) 5.77 11.9 -10.56 1 7 0 86 437.503 5 ↓

Analogs

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Popular Name: 5-ethyl-N-(2-fluorophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(2-fluorophenyl)-1-(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) 5.07 10.49 -10.83 1 7 0 86 427.439 5 ↓

Analogs

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Popular Name: 5-ethyl-N-(2-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(2-methoxyphenyl)-1-(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) 4.96 9.79 -12 1 8 0 95 439.475 6 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-5-ethyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide N-(2-chlorophenyl)-5-ethyl-1-(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) 5.58 11 -10.27 1 7 0 86 443.894 5 ↓

Analogs

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Popular Name: 5-ethyl-N-(3-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide 5-ethyl-N-(3-methoxyphenyl)-1-(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) 4.98 9.68 -12.94 1 8 0 95 439.475 6 ↓

Analogs

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Popular Name: N-isopropyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-triazole-4-carboxamide N-isopropyl-1-(3-phenyl-2,1-benz…

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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) 4.43 9.08 -9.77 1 7 0 86 389.459 6 ↓

Analogs

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Popular Name: [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone [4-[(3R)-1,1-dioxothiolan-3-yl]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) 2.00 6.08 -20.37 0 7 0 84 425.51 3 ↓
Mid Mid (pH 6-8) 2.00 8.29 -71.3 1 7 1 85 426.518 3 ↓

Analogs

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Popular Name: [4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone [4-[(3S)-1,1-dioxothiolan-3-yl]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) 2.00 6.04 -20.71 0 7 0 84 425.51 3 ↓
Mid Mid (pH 6-8) 2.00 8.24 -72.82 1 7 1 85 426.518 3 ↓

Analogs

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Popular Name: N-(3-morpholinopropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide N-(3-morpholinopropyl)-3-phenyl-…

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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 5.92 -13.12 1 6 0 68 365.433 6 ↓
Mid Mid (pH 6-8) 2.96 8.21 -51.79 2 6 1 69 366.441 6 ↓

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) 2.93 9.11 -14.47 0 7 0 76 379.416 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) 3.03 5.6 -12.72 2 7 0 93 325.324 5 ↓

Analogs

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Popular Name: N-(2-morpholinoethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide N-(2-morpholinoethyl)-3-phenyl-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) 2.69 5.14 -13.05 1 6 0 68 351.406 5 ↓
Mid Mid (pH 6-8) 2.69 7.42 -51.69 2 6 1 69 352.414 5 ↓

Analogs

20591925
20591925

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Popular Name: (4-ethylpiperazin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone (4-ethylpiperazin-1-yl)-(3-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) 2.86 9.94 -49.15 1 5 1 51 336.415 3 ↓
Mid Mid (pH 6-8) 2.86 7.73 -10.68 0 5 0 50 335.407 3 ↓

Analogs

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Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide N-[2-(ethylamino)-2-oxo-ethyl]-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) 2.80 5.16 -12.54 2 6 0 84 323.352 5 ↓

Analogs

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Popular Name: N-[(1S)-2-[(4-methoxyphenyl)amino]-1-methyl-2-oxo-ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide N-[(1S)-2-[(4-methoxyphenyl)amin…

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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) 4.01 8.57 -14.18 2 7 0 93 415.449 6 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-5-(2-phenyl-4-pyrimidinyl)-2,1-benzisoxazole 3-(4-fluorophenyl)-5-(2-phenyl-4…

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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 2.64 -10.73 0 4 0 51 367.383 3 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-5-(1H-pyrazol-3-yl)-2,1-benzisoxazole 3-(4-fluorophenyl)-5-(1H-pyrazol…

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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) 3.84 1.16 -9.74 1 4 0 54 279.274 2 ↓

Analogs

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Popular Name: 5-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-yl}-3-(4-fluorophenyl)-2,1-benzisoxazole 5-{1-[3-chloro-5-(trifluoromethy…

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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) 6.21 5.44 -9.6 0 5 0 56 458.802 4 ↓

Analogs

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Popular Name: 2-[4-(3-phenyl2,1-benzoxazole-5-carbonyl)piperazin-1-yl]-1-(1-piperidyl)ethanone 2-[4-(3-phenyl2,1-benzoxazole-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 9.44 -16.21 0 7 0 70 432.524 4 ↓

Analogs

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Popular Name: N-(4-morpholinosulfonylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide N-(4-morpholinosulfonylphenyl)-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) 3.67 7.53 -17.03 1 8 0 102 463.515 5 ↓

Analogs

14245155
14245155

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Popular Name: N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide N-[(1R)-1-(4-methylsulfonylpheny…

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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) 3.65 8.48 -18.81 1 6 0 89 420.49 5 ↓

Analogs

14245154
14245154

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Popular Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide N-[(1S)-1-(4-methylsulfonylpheny…

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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) 3.65 8.48 -18.81 1 6 0 89 420.49 5 ↓

Analogs

14252559
14252559
12891776
12891776
12891782
12891782
7827991
7827991

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Popular Name: (2S)-4-(3-phenyl2,1-benzoxazole-5-carbonyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(3-phenyl2,1-benzoxazole-…

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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) 4.60 11.28 -16.7 1 7 0 85 441.487 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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