| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 18 | Yes |
Popular Name: 1-methyl-4-[(1S)-1-methyl-3-phenyl-propyl]-1,4-diazepane 1-methyl-4-[(1S)-1-methyl-3-phen…
| 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) | 3.16 | 8.86 | -34.2 | 1 | 2 | 1 | 8 | 247.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.28 | -1.94 | 0 | 2 | 0 | 6 | 246.398 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 10.83 | -108.94 | 2 | 2 | 2 | 9 | 248.414 | 4 | ↓ |
