| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-isobutyl-N1-(2-methoxyethyl)propane-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) | 3.07 | 6.51 | -30.58 | 3 | 3 | 1 | 40 | 350.346 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 5.22 | -1.45 | 2 | 3 | 0 | 38 | 349.338 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 4.87 | -50.94 | 3 | 3 | 1 | 40 | 350.346 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 6.2 | -127.35 | 4 | 3 | 2 | 41 | 351.354 | 8 | ↓ |
