| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 13 | Yes |
Popular Name: (1R,2S)-1-(4-bromo-2-thienyl)-N1,N1-dimethyl-propane-1,2-diamine (1R,2S)-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) | 1.77 | 2.29 | -44.25 | 3 | 2 | 1 | 31 | 264.212 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 2.03 | -2.04 | 2 | 2 | 0 | 29 | 263.204 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 4.67 | -111.97 | 4 | 2 | 2 | 32 | 265.22 | 3 | ↓ |
