| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 18 | Yes |
Popular Name: 4-[4-[(1S)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]butan-1-ol 4-[4-[(1S)-3-amino-1-ethyl-propy…
| 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) | 0.35 | 2.29 | -94.5 | 5 | 4 | 2 | 56 | 259.438 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.35 | 1.46 | -32.1 | 4 | 4 | 1 | 54 | 258.43 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.35 | 0.48 | -43.28 | 4 | 4 | 1 | 54 | 258.43 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 3.28 | -107.4 | 5 | 4 | 2 | 55 | 259.438 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 3.67 | -206.96 | 6 | 4 | 3 | 57 | 260.446 | 8 | ↓ |
