| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 19 | Yes |
Popular Name: 3-[4-[2-(3-pyridyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[2-(3-pyridyl)ethyl]-1,4-di…
| 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) | 0.15 | 4.84 | -95.6 | 4 | 4 | 2 | 48 | 264.417 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 4.67 | -108.44 | 4 | 4 | 2 | 48 | 264.417 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 2.83 | -44.64 | 3 | 4 | 1 | 47 | 263.409 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 5.14 | -158.86 | 5 | 4 | 3 | 49 | 265.425 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 6.7 | -205.41 | 5 | 4 | 3 | 49 | 265.425 | 6 | ↓ |
