UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 11.76 -27.94 1 7 0 90 394.427 6 ↓

Analogs

38206702
38206702
19859107
19859107

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 12.39 -14.83 1 5 0 64 405.281 4 ↓
Mid Mid (pH 6-8) 4.54 11.62 -51.19 1 5 -1 70 404.273 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) 3.08 9.69 -21.19 1 6 0 78 359.422 9 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 6.57 -17.81 3 9 0 131 423.425 7 ↓
Hi High (pH 8-9.5) 1.84 5.82 -49.92 3 9 -1 136 422.417 7 ↓

Analogs

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Popular Name: LS-123498 LS-123498

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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) 1.85 8.84 -20.03 4 5 0 95 330.391 5 ↓

Analogs

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Popular Name: 3-amino-3-(cyclohexylamino)-2-[(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]acrylonitrile 3-amino-3-(cyclohexylamino)-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) 1.95 7.74 -18.31 4 5 0 95 308.385 3 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.70 13.19 -20.33 1 8 0 96 532.98 9 ↓
Mid Mid (pH 6-8) 5.10 12.44 -54.76 1 8 -1 102 531.972 9 ↓

Analogs

4115501
4115501

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Popular Name: ethyl 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate ethyl 5-{[2,5-dimethyl-1-(4-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) 3.26 12.77 -14.63 1 5 0 64 364.445 5 ↓

Analogs

4459635
4459635
33984871
33984871

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Popular Name: LS-123501 LS-123501

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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) 0.18 5.64 -14 3 6 0 89 309.373 2 ↓
Mid Mid (pH 6-8) 0.18 7.3 -62.49 4 6 1 90 310.381 2 ↓
Mid Mid (pH 6-8) 0.18 5.11 -18 3 6 0 89 309.373 2 ↓

Analogs

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Popular Name: (6Z)-6-[(3-fluorophenyl)methylene]-3-methyl-1-propyl-7H-pyrrolo[4,5-e]pyrimidine-2,4,5-trione (6Z)-6-[(3-fluorophenyl)methylen…

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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) 1.77 9.09 -18.51 1 6 0 77 329.331 3 ↓

Analogs

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Popular Name: (6Z)-6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylene]-3-methyl-1-propyl-7H-pyrrolo[4,5-e]py (6Z)-6-[(5-methoxy-2,3-dihydro-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) 1.12 8.04 -19.69 1 9 0 105 399.403 4 ↓

Analogs

25539299
25539299
25539309
25539309

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Popular Name: (2E)-1-acetyl-2-[(5-nitro-2-furyl)methylene]pseudoindoxyl (2E)-1-acetyl-2-[(5-nitro-2-fury…

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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) 2.79 9.13 -18.57 0 7 0 98 298.254 2 ↓

Analogs

2785629
2785629
39289753
39289753

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Popular Name: (2Z)-2-(4-ethoxy-3-methoxy-benzylidene)-1-methyl-pseudoindoxyl (2Z)-2-(4-ethoxy-3-methoxy-benzy…

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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) 3.22 2.11 -10.09 0 4 0 40 309.365 4 ↓

Analogs

25386394
25386394

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Popular Name: 1-acetyl-2-[(6-methyl-2-morpholino-3-quinolyl)methylene]pseudoindoxyl 1-acetyl-2-[(6-methyl-2-morpholi…

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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) 4.10 9.92 -14.83 0 6 0 64 413.477 2 ↓
Lo Low (pH 4.5-6) 4.10 10.18 -29.93 1 6 1 66 414.485 2 ↓

Analogs

3001673
3001673
5517186
5517186

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Popular Name: 2-[(4-phenylsulfonylphenyl)methylene]indolin-3-one 2-[(4-phenylsulfonylphenyl)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) 3.97 8.54 -15.3 1 4 0 67 361.422 3 ↓

Analogs

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Popular Name: (2Z)-2-(3-ketoindolin-2-ylidene)-2-phenyl-acetonitrile (2Z)-2-(3-ketoindolin-2-ylidene)…

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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) 2.99 8.26 -7.22 1 3 0 57 246.269 1 ↓

Analogs

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Popular Name: LS-123490 LS-123490

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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) 2.18 9.76 -20.73 4 5 0 95 344.418 5 ↓

Analogs

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Popular Name: LS-123490 LS-123490

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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) 2.18 9.76 -20.67 4 5 0 95 344.418 5 ↓

Analogs

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Popular Name: (3Z)-3-(3-oxoindolin-2-ylidene)-1H-pyrrolo[2,3-b]pyridin-2-one (3Z)-3-(3-oxoindolin-2-ylidene)-…

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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 4.87 -9.13 2 5 0 79 263.256 0 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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