| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 22nd, 2010 | 20 | Yes |
Popular Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]-1,4-diazepan-1-yl]ethanamine 2-[4-[(2-methoxy-5-methyl-phenyl…
| 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) | 1.14 | 4.67 | -114.58 | 4 | 4 | 2 | 45 | 279.428 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 4.29 | -30.03 | 3 | 4 | 1 | 43 | 278.42 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 4.68 | -89.54 | 4 | 4 | 2 | 45 | 279.428 | 5 | ↓ |
