| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(4-bromo-2-thienyl)-N1,N1-bis(2-methoxyethyl)butane-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) | 2.27 | 3.08 | -37.89 | 3 | 4 | 1 | 49 | 366.345 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 3.09 | -2.94 | 2 | 4 | 0 | 48 | 365.337 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 4.58 | -33.33 | 3 | 4 | 1 | 49 | 366.345 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.31 | -101.84 | 4 | 4 | 2 | 51 | 367.353 | 10 | ↓ |
