| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(2-pyridylmet…
| 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) | 0.28 | 2.97 | -44.63 | 3 | 4 | 1 | 47 | 263.409 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | 4.65 | -103.83 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | 5.3 | -162.19 | 5 | 4 | 3 | 49 | 265.425 | 5 | ↓ |
