| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 18 | Yes |
Popular Name: (1S)-3-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-propan-1-amine (1S)-3-(4-methyl-1,4-diazepan-1-…
| 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) | -0.11 | 5.03 | -35.21 | 3 | 3 | 1 | 34 | 248.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.11 | 3.39 | -45.65 | 3 | 3 | 1 | 34 | 248.394 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | 7.45 | -104.96 | 4 | 3 | 2 | 35 | 249.402 | 4 | ↓ |
