| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | Yes |
Popular Name: (2S)-2-[4-[(2S)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]propanamide (2S)-2-[4-[(2S)-3-amino-2-methyl…
| 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) | -0.32 | -1.89 | -47.72 | 5 | 5 | 1 | 77 | 243.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.57 | -1.28 | -73.89 | 5 | 5 | 1 | 82 | 243.375 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.32 | -0.11 | -105.92 | 6 | 5 | 2 | 78 | 244.383 | 5 | ↓ |
