| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-N1-cyclohexyl-N1-ethyl-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) | 4.05 | 6.21 | -43.61 | 3 | 2 | 1 | 31 | 346.358 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 7.56 | -30.55 | 3 | 2 | 1 | 30 | 346.358 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 5.87 | -1.18 | 2 | 2 | 0 | 29 | 345.35 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 7.85 | -121.9 | 4 | 2 | 2 | 32 | 347.366 | 5 | ↓ |
