| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 17 | Yes |
Popular Name: 4-[4-[(2S)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]butan-1-ol 4-[4-[(2S)-3-amino-2-methyl-prop…
| 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) | -0.04 | 1.87 | -90.89 | 5 | 4 | 2 | 56 | 245.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 3.23 | -110.59 | 5 | 4 | 2 | 55 | 245.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 0.07 | -43.91 | 4 | 4 | 1 | 54 | 244.403 | 7 | ↓ |
