| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-(1-ethylpropyl)-N1-(2-methoxyethyl)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) | 4.23 | 7.1 | -27.3 | 3 | 3 | 1 | 40 | 378.4 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 6.14 | -44.46 | 3 | 3 | 1 | 40 | 378.4 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 6.03 | -0.67 | 2 | 3 | 0 | 38 | 377.392 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 7.41 | -107.73 | 4 | 3 | 2 | 41 | 379.408 | 10 | ↓ |
