| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: (3S)-3-amino-4-[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-4-oxo-butanamide (3S)-3-amino-4-[4-[2-(dimethylam…
| 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) | -2.18 | -0.17 | -101.95 | 6 | 8 | 2 | 116 | 301.391 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.18 | -2.3 | -18.37 | 4 | 8 | 0 | 113 | 299.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.18 | -0.55 | -53.16 | 5 | 8 | 1 | 114 | 300.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.18 | -1.92 | -46.1 | 5 | 8 | 1 | 115 | 300.383 | 5 | ↓ |
