| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-[(3-methoxyphenyl)methyl]-N1-methyl-propane-1,2-diamine (1S,2R)-1-(5-bromo-2-thienyl)-N1…
| 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) | 3.39 | 7.69 | -123.51 | 4 | 3 | 2 | 41 | 371.344 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 5.54 | -3.77 | 2 | 3 | 0 | 38 | 369.328 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 5.46 | -50.62 | 3 | 3 | 1 | 40 | 370.336 | 6 | ↓ |
