| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 21 | Yes |
Popular Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide (2S)-N-(5-amino-2-fluoro-phenyl)…
| 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) | 0.81 | 5.8 | -106.26 | 5 | 5 | 2 | 64 | 296.39 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 4.05 | -36.38 | 4 | 5 | 1 | 63 | 295.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 1.93 | -9.66 | 3 | 5 | 0 | 62 | 294.374 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 2.07 | -27.56 | 3 | 5 | 0 | 69 | 294.374 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 3.68 | -36.79 | 4 | 5 | 1 | 63 | 295.382 | 3 | ↓ |
