| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | Yes |
Popular Name: (3S)-3-amino-4-[4-(2-amino-2-oxo-ethyl)-1,4-diazepan-1-yl]-4-oxo-butanamide (3S)-3-amino-4-[4-(2-amino-2-oxo…
| 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) | -2.35 | -3.57 | -98.82 | 8 | 8 | 2 | 139 | 273.337 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.35 | -5.55 | -15.4 | 6 | 8 | 0 | 136 | 271.321 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.35 | -3.91 | -49.34 | 7 | 8 | 1 | 137 | 272.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.35 | -5.19 | -44.34 | 7 | 8 | 1 | 137 | 272.329 | 5 | ↓ |
