| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-[(4-bromo-2-thienyl)methyl]-1-(5-chloro-2-thienyl)-N1-methyl-propane-1,2-diamine (1S,2R)-N1-[(4-bromo-2-thienyl)m…
| 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) | 3.87 | 6.23 | -48.08 | 3 | 2 | 1 | 31 | 380.784 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 5.48 | -2.47 | 2 | 2 | 0 | 29 | 379.776 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.87 | 8.06 | -125.55 | 4 | 2 | 2 | 32 | 381.792 | 5 | ↓ |
