| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 18 | Yes |
Popular Name: 2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine 2-[4-(3-imidazol-1-ylpropyl)-1,4…
| 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) | -0.74 | 5.58 | -157.91 | 5 | 5 | 3 | 54 | 254.402 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.74 | 2.99 | -48.28 | 3 | 5 | 1 | 52 | 252.386 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.74 | 5.07 | -102.58 | 4 | 5 | 2 | 53 | 253.394 | 6 | ↓ |
