| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-[(5-bromo-3-thienyl)methyl]-N1-methyl-butane-1,2-diamine (1R,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) | 4.42 | 9.15 | -124.52 | 4 | 2 | 2 | 32 | 440.27 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.42 | 6.54 | -2.92 | 2 | 2 | 0 | 29 | 438.254 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.42 | 6.83 | -47.95 | 3 | 2 | 1 | 31 | 439.262 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.42 | 8.71 | -36.89 | 3 | 2 | 1 | 30 | 439.262 | 6 | ↓ |
