| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-N1-(1-ethylpropyl)-N1-(2-methoxyethyl)-1-(5-methyl-2-thienyl)butane-1,2-diamine (1S,2R)-N1-(1-ethylpropyl)-N1-(2…
| 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) | 3.52 | 7.2 | -24.5 | 3 | 3 | 1 | 40 | 313.531 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 6.24 | -41.59 | 3 | 3 | 1 | 40 | 313.531 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 5.89 | -1.39 | 2 | 3 | 0 | 38 | 312.523 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 7.51 | -101.06 | 4 | 3 | 2 | 41 | 314.539 | 10 | ↓ |
