| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2011 | 18 | Yes |
Popular Name: 6-methyl-2-[(2S)-2-methylazepan-1-yl]pyridine-3-carboxamidine 6-methyl-2-[(2S)-2-methylazepan-…
| 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) | 1.27 | 5.31 | -34.35 | 4 | 4 | 1 | 68 | 247.366 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 6.49 | -5.41 | 3 | 4 | 0 | 66 | 246.358 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 5.75 | -88.65 | 5 | 4 | 2 | 69 | 248.374 | 2 | ↓ |
