| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-isobutyl-N1-methyl-butane-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) | 3.62 | 5.81 | -43.82 | 3 | 2 | 1 | 31 | 320.32 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 5.9 | -1.1 | 2 | 2 | 0 | 29 | 319.312 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 7.46 | -34.39 | 3 | 2 | 1 | 30 | 320.32 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 7.74 | -117.09 | 4 | 2 | 2 | 32 | 321.328 | 6 | ↓ |
