| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 17 | Yes |
Popular Name: (2R)-2-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-thienyl)ethanamine (2R)-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) | 1.01 | 5.52 | -93.23 | 4 | 3 | 2 | 35 | 255.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 4.57 | -32.5 | 3 | 3 | 1 | 34 | 254.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 3 | -45.19 | 3 | 3 | 1 | 34 | 254.423 | 3 | ↓ |
