| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 19 | Yes |
Popular Name: (1S)-N-benzyl-1-(4-bromo-2-thienyl)-N-ethyl-ethane-1,2-diamine (1S)-N-benzyl-1-(4-bromo-2-thien…
| 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) | 3.14 | 8.04 | -30.53 | 3 | 2 | 1 | 30 | 340.31 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 6.04 | -3.18 | 2 | 2 | 0 | 29 | 339.302 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 6.32 | -51.95 | 3 | 2 | 1 | 31 | 340.31 | 6 | ↓ |
