| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-N1-(2-dimethylaminoethyl)-N1-propyl-propane-1,2-diamine (1S,2R)-1-(4-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) | 2.68 | 5.95 | -111.8 | 4 | 3 | 2 | 35 | 350.37 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 5.97 | -34.99 | 3 | 3 | 1 | 34 | 349.362 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 3.59 | -38.05 | 3 | 3 | 1 | 34 | 349.362 | 8 | ↓ |
