| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(1-methylpyrazol-4-yl)butyl]-isopropyl-amino]acetamide 2-[[(1R,2S)-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) | -0.55 | 0.82 | -117.8 | 6 | 6 | 2 | 93 | 269.393 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | -2.23 | -8.41 | 4 | 6 | 0 | 90 | 267.377 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | -1.89 | -41.2 | 5 | 6 | 1 | 92 | 268.385 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.55 | 0.56 | -35.9 | 5 | 6 | 1 | 91 | 268.385 | 7 | ↓ |
