| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 16 | Yes |
Popular Name: 2-[4-[(2S)-2-aminopropanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(2S)-2-aminopropanoyl]-1,4…
| 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) | -2.24 | -0.54 | -95.65 | 6 | 6 | 2 | 95 | 230.312 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.24 | -2.21 | -48.01 | 5 | 6 | 1 | 94 | 229.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.24 | -2.52 | -11.75 | 4 | 6 | 0 | 93 | 228.296 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.24 | -0.85 | -41.04 | 5 | 6 | 1 | 94 | 229.304 | 3 | ↓ |
