| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 17 | Yes |
Popular Name: (1R)-2-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-ethanamine (1R)-2-(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) | -0.38 | 4.94 | -34.19 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 4.6 | -30.74 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 3.24 | -39.43 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 2.56 | -2.41 | 2 | 3 | 0 | 32 | 233.359 | 3 | ↓ |
