| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: (2S)-2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propanamide (2S)-2-[4-(3-aminopropyl)-1,4-di…
| 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) | -0.80 | -2.37 | -48.61 | 5 | 5 | 1 | 77 | 229.348 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.04 | -1.95 | -72.79 | 5 | 5 | 1 | 82 | 229.348 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | -0.54 | -108.58 | 6 | 5 | 2 | 78 | 230.356 | 5 | ↓ |
