| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: 2-[4-[(2S)-2-amino-3-methyl-butanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(2S)-2-amino-3-methyl-buta…
| 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) | -1.46 | 0.88 | -94.82 | 6 | 6 | 2 | 95 | 258.366 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | -0.65 | -50.58 | 5 | 6 | 1 | 94 | 257.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 0.55 | -40.98 | 5 | 6 | 1 | 94 | 257.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | -1.08 | -11.28 | 4 | 6 | 0 | 93 | 256.35 | 4 | ↓ |
