| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 33 | No |
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CAS Number: 423769-22-6
| 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) | -1.16 | -0.07 | -66.25 | 7 | 11 | 0 | 209 | 459.431 | 2 | ↓ |
| Ref Reference (pH 7) | -1.61 | -1.5 | -23.92 | 7 | 11 | 0 | 205 | 459.431 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.34 | -1.59 | -73.05 | 7 | 11 | -1 | 205 | 459.431 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.34 | -0.29 | -152.33 | 7 | 11 | -1 | 209 | 459.431 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | 1.34 | -99.7 | 6 | 11 | 0 | 212 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -0.52 | -85.02 | 6 | 11 | 0 | 208 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -0.34 | -232.62 | 5 | 11 | -3 | 210 | 457.415 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -0.76 | -48.75 | 8 | 11 | 0 | 206 | 460.439 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -1.32 | -132.67 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -0.36 | -75.94 | 7 | 11 | 0 | 209 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -1.41 | -72.68 | 6 | 11 | 0 | 208 | 458.423 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -0.17 | -123.36 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -0.39 | -67.23 | 6 | 11 | 0 | 208 | 458.423 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 211 - 213 | Enamine Building Blocks |
| MP | 211...213 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.