| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 14 | Yes |
Popular Name: (2S)-2-amino-3-(4-methyl-1,4-diazepan-1-yl)propanoic (2S)-2-amino-3-(4-methyl-1,4-dia…
| 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) | -2.84 | 2.07 | -79.44 | 4 | 5 | 1 | 75 | 202.278 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.84 | 0.61 | -32.67 | 3 | 5 | 0 | 74 | 201.27 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.84 | 1.68 | -37.19 | 3 | 5 | 0 | 74 | 201.27 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.84 | 1.98 | -59.58 | 3 | 5 | 0 | 74 | 201.27 | 3 | ↓ |
