| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-(2-methoxyethyl)-N1-(3-methoxypropyl)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) | 2.74 | 5.72 | -34.72 | 3 | 4 | 1 | 49 | 380.372 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 3.72 | -3.22 | 2 | 4 | 0 | 48 | 379.364 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 4.44 | -44.21 | 3 | 4 | 1 | 49 | 380.372 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 6.01 | -113.82 | 4 | 4 | 2 | 51 | 381.38 | 11 | ↓ |
