| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 1-[4-[(1S)-2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S)-2-amino-1-(1-methylpy…
| 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) | -1.37 | 2.29 | -49.37 | 3 | 6 | 1 | 69 | 266.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | 3.76 | -38.39 | 3 | 6 | 1 | 69 | 266.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | 1.75 | -12.79 | 2 | 6 | 0 | 67 | 265.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.37 | 3.84 | -128.73 | 4 | 6 | 2 | 70 | 267.377 | 3 | ↓ |
