| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-N1-[(5-bromo-3-thienyl)methyl]-N1-methyl-propane-1,2-diamine (1S,2S)-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) | 3.88 | 5.98 | -46.88 | 3 | 2 | 1 | 31 | 425.235 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 5.66 | -1.96 | 2 | 2 | 0 | 29 | 424.227 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 8.07 | -41.9 | 3 | 2 | 1 | 30 | 425.235 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 8.37 | -124.78 | 4 | 2 | 2 | 32 | 426.243 | 5 | ↓ |
