| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 1-[4-[(1R,2S)-2-amino-1-(1-methylpyrazol-4-yl)propyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1R,2S)-2-amino-1-(1-methy…
| 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) | -0.97 | 3.13 | -54.45 | 3 | 6 | 1 | 69 | 280.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 2.55 | -9.81 | 2 | 6 | 0 | 67 | 279.388 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.97 | 4.61 | -135.84 | 4 | 6 | 2 | 70 | 281.404 | 3 | ↓ |
