| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(5-methyl-2-pyridyl)-1,4-diazepan-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(5-methyl-2-p…
| 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) | 1.31 | 6.28 | -79.87 | 4 | 4 | 2 | 48 | 264.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 5.97 | -47.25 | 3 | 4 | 1 | 47 | 263.409 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 7.83 | -175.34 | 5 | 4 | 3 | 49 | 265.425 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 7.51 | -110.81 | 4 | 4 | 2 | 48 | 264.417 | 4 | ↓ |
