| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 20 | Yes |
Popular Name: 4-[4-[(2S)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]-N,N-dimethyl-butanamide 4-[4-[(2S)-3-amino-2-methyl-prop…
| 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) | -0.49 | 4.71 | -96.49 | 4 | 5 | 2 | 56 | 286.464 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 4.25 | -38.39 | 3 | 5 | 1 | 54 | 285.456 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 6.07 | -113.13 | 4 | 5 | 2 | 55 | 286.464 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 2.91 | -49.71 | 3 | 5 | 1 | 54 | 285.456 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.49 | 6.44 | -200.64 | 5 | 5 | 3 | 57 | 287.472 | 7 | ↓ |
