| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 32 | No |
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CAS Number: 10592-13-9
| 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) | -0.87 | -1.1 | -56.35 | 6 | 10 | -1 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -2.92 | -69.93 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | -2.69 | -68 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -2.84 | -73.07 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.87 | -0.11 | -116.68 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 1.17 | -49.49 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 1.84 | -47.28 | 5 | 10 | 0 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -0.8 | -43.92 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -0.52 | -78.97 | 7 | 10 | 0 | 186 | 444.44 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -0.16 | -61.53 | 6 | 10 | 0 | 188 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.03 | -134.8 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.3 | -59.27 | 6 | 10 | 0 | 188 | 443.432 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
