| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(4-bromo-2-thienyl)-N1-methyl-N1-(2-thienylmethyl)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) | 3.06 | 5.66 | -44.05 | 3 | 2 | 1 | 31 | 346.339 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.36 | -2.19 | 2 | 2 | 0 | 29 | 345.331 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 7.18 | -34.51 | 3 | 2 | 1 | 30 | 346.339 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 7.47 | -117.52 | 4 | 2 | 2 | 32 | 347.347 | 5 | ↓ |
