| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-N1-methyl-N1-pentyl-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) | 3.71 | 5.47 | -43.35 | 3 | 2 | 1 | 31 | 320.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 7.38 | -33.74 | 3 | 2 | 1 | 30 | 320.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 5.59 | -1.27 | 2 | 2 | 0 | 29 | 319.312 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 7.69 | -115.3 | 4 | 2 | 2 | 32 | 321.328 | 7 | ↓ |
