| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: [4-[(2S)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone [4-[(2S)-3-amino-2-methyl-propyl…
| 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) | -0.78 | 5.23 | -111.33 | 4 | 6 | 2 | 70 | 295.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | 4.86 | -40.96 | 3 | 6 | 1 | 69 | 294.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | 3.74 | -49.9 | 3 | 6 | 1 | 69 | 294.423 | 4 | ↓ |
