| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 32 | No |
Find On: PubMed — Wikipedia — Google
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 | -0.77 | -53.41 | 6 | 10 | -1 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -2.87 | -69.83 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | -2.55 | -73.57 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -2.77 | -73.01 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.87 | 0.23 | -116.2 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 1.27 | -46.26 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 1.86 | -42.48 | 5 | 10 | 0 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -0.38 | -88.28 | 7 | 10 | 0 | 186 | 444.44 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -0.01 | -42.65 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.52 | -97.27 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.32 | -131.88 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 1 | -57.41 | 6 | 10 | 0 | 188 | 443.432 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.