| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-ethyl-N1-[(1R)-2-methoxy-1-methyl-ethyl]propane-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) | 2.65 | 5.16 | -32.57 | 3 | 3 | 1 | 40 | 336.319 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 3.52 | -2.18 | 2 | 3 | 0 | 38 | 335.311 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 3.86 | -42.41 | 3 | 3 | 1 | 40 | 336.319 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 5.49 | -108.71 | 4 | 3 | 2 | 41 | 337.327 | 7 | ↓ |
