| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-N1-(2-dimethylaminoethyl)-N1-propyl-butane-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) | 3.21 | 6.87 | -111.75 | 4 | 3 | 2 | 35 | 364.397 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 4.38 | -43.8 | 3 | 3 | 1 | 34 | 363.389 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 6.53 | -38.62 | 3 | 3 | 1 | 34 | 363.389 | 9 | ↓ |
