| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | Yes |
Popular Name: (2S)-2-amino-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]butan-1-one (2S)-2-amino-1-[4-[[(2S)-tetrahy…
| 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) | -0.06 | 4.5 | -91.73 | 4 | 5 | 2 | 62 | 271.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 2.29 | -7.04 | 2 | 5 | 0 | 59 | 269.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 2.61 | -42.48 | 3 | 5 | 1 | 60 | 270.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 4.15 | -37.68 | 3 | 5 | 1 | 60 | 270.397 | 4 | ↓ |
