| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-(2-…
| 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) | 1.35 | 2.02 | -47.05 | 3 | 3 | 1 | 40 | 294.238 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 1.68 | -2.68 | 2 | 3 | 0 | 38 | 293.23 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 3.88 | -32.3 | 3 | 3 | 1 | 40 | 294.238 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 4.25 | -113.71 | 4 | 3 | 2 | 41 | 295.246 | 6 | ↓ |
