| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(1-methylpyrazol-4-yl)butyl]-methyl-amino]-N-isopropyl-acetamide 2-[[(1S,2R)-2-amino-1-(1-methylp…
| 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) | 0.32 | 3.68 | -122.12 | 5 | 6 | 2 | 79 | 283.42 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | 1.45 | -10.38 | 3 | 6 | 0 | 76 | 281.404 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | 1.85 | -44.13 | 4 | 6 | 1 | 78 | 282.412 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 3.38 | -41.19 | 4 | 6 | 1 | 77 | 282.412 | 7 | ↓ |
