| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 17 | Yes |
Popular Name: (2R)-N-[(4-bromo-2-thienyl)methyl]-N',N',4-trimethyl-pentane-1,2-diamine (2R)-N-[(4-bromo-2-thienyl)methy…
| 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) | 3.80 | 7.58 | -33.03 | 2 | 2 | 1 | 16 | 320.32 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 6.6 | -40.28 | 2 | 2 | 1 | 20 | 320.32 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 8.74 | -125.87 | 3 | 2 | 2 | 21 | 321.328 | 7 | ↓ |
