| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 14 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-N1-ethyl-N1-methyl-propane-1,2-diamine (1S,2R)-1-(5-chloro-2-thienyl)-N…
| 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) | 2.21 | 3.57 | -43.62 | 3 | 2 | 1 | 31 | 233.788 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 3.25 | -1.1 | 2 | 2 | 0 | 29 | 232.78 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 5.38 | -114.49 | 4 | 2 | 2 | 32 | 234.796 | 4 | ↓ |
