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Analogs

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Popular Name: N-butyl-3-(methyl-oxo-BLAHyl)-benzamide N-butyl-3-(methyl-oxo-BLAHyl)-be…

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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) 3.40 7.13 -17.19 2 6 0 71 379.46 5 ↓

Analogs

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Popular Name: N-butyl-3-(methyl-oxo-BLAHyl)-benzamide N-butyl-3-(methyl-oxo-BLAHyl)-be…

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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) 3.40 7.12 -21.01 2 6 0 71 379.46 5 ↓

Analogs

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Popular Name: [3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]-methoxy-methyl-BLAHone [3-[4-(5-chloro-2-methyl-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) 4.19 12.4 -19.95 1 8 0 74 547.055 4 ↓
Lo Low (pH 4.5-6) 4.19 12.23 -55.67 2 8 1 76 548.063 4 ↓

Analogs

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Popular Name: [3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]-methoxy-methyl-BLAHone [3-[4-(5-chloro-2-methyl-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) 4.19 12.41 -23.47 1 8 0 74 547.055 4 ↓
Lo Low (pH 4.5-6) 4.19 12.18 -56.61 2 8 1 76 548.063 4 ↓

Analogs

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Popular Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-chloro-methyl-BLAHone [3-[4-(1,3-benzodioxol-5-ylmethy…

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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) 3.57 8.6 -21.99 1 9 0 84 561.038 4 ↓
Mid Mid (pH 6-8) 3.57 10.8 -64.28 2 9 1 85 562.046 4 ↓

Analogs

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Popular Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-chloro-methyl-BLAHone [3-[4-(1,3-benzodioxol-5-ylmethy…

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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) 3.57 8.59 -24.32 1 9 0 84 561.038 4 ↓
Mid Mid (pH 6-8) 3.57 10.8 -52.16 2 9 1 85 562.046 4 ↓

Analogs

15935207
15935207

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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) 2.73 8.53 -23.01 1 9 0 91 498.967 4 ↓

Analogs

15935206
15935206

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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) 2.73 8.55 -20.7 1 9 0 91 498.967 4 ↓

Analogs

15936814
15936814

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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) 2.08 8.03 -23.69 1 9 0 91 464.522 4 ↓

Analogs

15936813
15936813

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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) 2.08 8.05 -21 1 9 0 91 464.522 4 ↓

Analogs

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Popular Name: bromo-N,N-tetramethyl-oxo-BLAHcarboxamide bromo-N,N-tetramethyl-oxo-BLAHca…

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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) 2.34 3.82 -15.35 1 6 0 62 368.231 1 ↓

Analogs

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Popular Name: bromo-N,N-tetramethyl-oxo-BLAHcarboxamide bromo-N,N-tetramethyl-oxo-BLAHca…

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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) 2.34 4.37 -13.46 1 6 0 62 368.231 1 ↓

Analogs

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Popular Name: N,N-trimethyl-oxo-phenyl-BLAHcarboxamide N,N-trimethyl-oxo-phenyl-BLAHcar…

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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) 2.70 6.59 -17.85 1 6 0 62 351.406 2 ↓

Analogs

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Popular Name: N,N-trimethyl-oxo-phenyl-BLAHcarboxamide N,N-trimethyl-oxo-phenyl-BLAHcar…

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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) 2.70 7.15 -16.12 1 6 0 62 351.406 2 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one 3-(2,4-difluorophenyl)-2-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 6.52 -13.81 1 4 0 42 316.307 1 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one 3-(2,4-difluorophenyl)-2-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 6.45 -10.51 1 4 0 42 316.307 1 ↓

Analogs

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Popular Name: bromo-cyclohexyl-methyl-BLAHone bromo-cyclohexyl-methyl-BLAHone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 6.85 -8.94 1 4 0 42 365.271 1 ↓

Analogs

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Popular Name: bromo-cyclohexyl-methyl-BLAHone bromo-cyclohexyl-methyl-BLAHone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 6.85 -8.95 1 4 0 42 365.271 1 ↓

Analogs

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Popular Name: allyl 10-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate allyl 10-methoxy-2-methyl-4-oxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 3 -14.52 2 7 0 86 318.329 5 ↓

Analogs

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Popular Name: allyl 10-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate allyl 10-methoxy-2-methyl-4-oxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 3.24 -14.4 2 7 0 86 318.329 5 ↓

Analogs

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Popular Name: allyl 2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate allyl 2-methyl-4-oxo-3,4,5,6-tet…

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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) 2.36 3.06 -12.19 2 6 0 77 288.303 4 ↓

Analogs

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Popular Name: allyl 2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate allyl 2-methyl-4-oxo-3,4,5,6-tet…

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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) 2.36 3.49 -11.36 2 6 0 77 288.303 4 ↓

Analogs

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Popular Name: ethyl 10-methoxy-2-methyl-4-oxo-3-phenyl-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate ethyl 10-methoxy-2-methyl-4-oxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 8.03 -16.35 1 7 0 77 382.416 5 ↓

Analogs

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Popular Name: ethyl 10-methoxy-2-methyl-4-oxo-3-phenyl-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate ethyl 10-methoxy-2-methyl-4-oxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 8.19 -16.63 1 7 0 77 382.416 5 ↓

Analogs

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Popular Name: chloro-N,N-trimethyl-oxo-BLAHcarboxamide chloro-N,N-trimethyl-oxo-BLAHcar…

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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) 1.42 1.46 -15.18 2 6 0 71 309.753 1 ↓

Analogs

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Popular Name: chloro-N,N-trimethyl-oxo-BLAHcarboxamide chloro-N,N-trimethyl-oxo-BLAHcar…

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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) 1.42 2.32 -13.7 2 6 0 71 309.753 1 ↓

Analogs

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Popular Name: (3-chloro-2-methyl-phenyl)-methyl-BLAHone (3-chloro-2-methyl-phenyl)-methy…

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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) 3.82 7.96 -12.16 1 4 0 42 328.799 1 ↓

Analogs

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Popular Name: (3-chloro-2-methyl-phenyl)-methyl-BLAHone (3-chloro-2-methyl-phenyl)-methy…

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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) 3.82 7.84 -11.9 1 4 0 42 328.799 1 ↓

Analogs

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Popular Name: 1,3-benzodioxol-5-yl-chloro-methyl-BLAHone 1,3-benzodioxol-5-yl-chloro-meth…

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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) 3.34 5.48 -12.18 1 6 0 60 358.781 1 ↓

Analogs

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Popular Name: 1,3-benzodioxol-5-yl-chloro-methyl-BLAHone 1,3-benzodioxol-5-yl-chloro-meth…

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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) 3.34 5.48 -12.76 1 6 0 60 358.781 1 ↓

Analogs

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Popular Name: 1,3-benzodioxol-5-yl(methyl)BLAHone 1,3-benzodioxol-5-yl(methyl)BLAHone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 4.97 -12.63 1 6 0 60 324.336 1 ↓

Analogs

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Popular Name: 1,3-benzodioxol-5-yl(methyl)BLAHone 1,3-benzodioxol-5-yl(methyl)BLAHone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 4.97 -13.14 1 6 0 60 324.336 1 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)-methoxy-methyl-BLAHone (2,4-difluorophenyl)-methoxy-met…

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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 6.46 -16.7 1 5 0 51 346.333 2 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)-methoxy-methyl-BLAHone (2,4-difluorophenyl)-methoxy-met…

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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 6.38 -12.91 1 5 0 51 346.333 2 ↓

Analogs

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Popular Name: bromo-(2,3-dihydro-1,4-benzodioxin-6-yl)-methyl-BLAHone bromo-(2,3-dihydro-1,4-benzodiox…

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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) 3.09 6.08 -13.24 1 6 0 60 417.259 1 ↓

Analogs

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Popular Name: bromo-(2,3-dihydro-1,4-benzodioxin-6-yl)-methyl-BLAHone bromo-(2,3-dihydro-1,4-benzodiox…

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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) 3.09 6.08 -13.24 1 6 0 60 417.259 1 ↓

Analogs

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Popular Name: chloro-(2-methoxyphenyl)-methyl-BLAHone chloro-(2-methoxyphenyl)-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 6.27 -13.36 1 5 0 51 344.798 2 ↓

Analogs

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Popular Name: chloro-(2-methoxyphenyl)-methyl-BLAHone chloro-(2-methoxyphenyl)-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 6.38 -12.69 1 5 0 51 344.798 2 ↓

Analogs

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Popular Name: (2-bromophenyl)-methyl-nitro-BLAHone (2-bromophenyl)-methyl-nitro-BLA…

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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) 3.49 8 -15.19 1 7 0 87 404.22 2 ↓

Analogs

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Popular Name: (2-bromophenyl)-methyl-nitro-BLAHone (2-bromophenyl)-methyl-nitro-BLA…

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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) 3.49 7.88 -13.51 1 7 0 87 404.22 2 ↓

Analogs

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Popular Name: (4-bromo-2-fluoro-phenyl)-methyl-nitro-BLAHone (4-bromo-2-fluoro-phenyl)-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 7.78 -15.71 1 7 0 87 422.21 2 ↓

Analogs

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Popular Name: (4-bromo-2-fluoro-phenyl)-methyl-nitro-BLAHone (4-bromo-2-fluoro-phenyl)-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 7.72 -13.22 1 7 0 87 422.21 2 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-methyl-nitro-BLAHone (2,4-dimethylphenyl)-methyl-nitr…

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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) 3.55 8.83 -14.35 1 7 0 87 353.378 2 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-methyl-nitro-BLAHone (2,4-dimethylphenyl)-methyl-nitr…

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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) 3.55 8.49 -14.49 1 7 0 87 353.378 2 ↓

Analogs

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Popular Name: bromo-(2,4-dimethylphenyl)-methyl-BLAHone bromo-(2,4-dimethylphenyl)-methy…

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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) 4.40 8.73 -11.02 1 4 0 42 387.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: bromo-(2,4-dimethylphenyl)-methyl-BLAHone bromo-(2,4-dimethylphenyl)-methy…

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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) 4.40 8.39 -11.48 1 4 0 42 387.277 1 ↓

Analogs

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Popular Name: (2-ethylphenyl)-methoxy-methyl-BLAHone (2-ethylphenyl)-methoxy-methyl-B…

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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) 3.47 7.95 -14.37 1 5 0 51 338.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-ethylphenyl)-methoxy-methyl-BLAHone (2-ethylphenyl)-methoxy-methyl-B…

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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) 3.47 7.8 -13.37 1 5 0 51 338.407 3 ↓

Analogs

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Popular Name: bromo-(3-chloro-2-methyl-phenyl)-methoxy-methyl-BLAHone bromo-(3-chloro-2-methyl-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) 4.40 8.46 -13.73 1 5 0 51 437.721 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: bromo-(3-chloro-2-methyl-phenyl)-methoxy-methyl-BLAHone bromo-(3-chloro-2-methyl-phenyl)…

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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) 4.40 8.34 -13.48 1 5 0 51 437.721 2 ↓

Parameters Provided:

ring.id = 4048
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 = 4048 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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