| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 1-[4-[(1R,2S)-2-amino-1-(1-methylpyrazol-4-yl)butyl]-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) | -0.43 | 3.96 | -53.96 | 3 | 6 | 1 | 69 | 294.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 5.5 | -136.18 | 4 | 6 | 2 | 70 | 295.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 5.12 | -46.45 | 3 | 6 | 1 | 69 | 294.423 | 4 | ↓ |
