| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-ethyl-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) | 2.87 | 4.58 | -43.47 | 3 | 2 | 1 | 31 | 292.266 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 4.27 | -1.3 | 2 | 2 | 0 | 29 | 291.258 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 6.01 | -34.42 | 3 | 2 | 1 | 30 | 292.266 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 6.31 | -115.07 | 4 | 2 | 2 | 32 | 293.274 | 5 | ↓ |
