| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 19 | Yes |
Popular Name: N-[(1S)-1-(5-bromo-2-thienyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine N-[(1S)-1-(5-bromo-2-thienyl)eth…
| 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) | 3.08 | 7.12 | -89.6 | 3 | 3 | 2 | 24 | 348.354 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 4.73 | -42.13 | 2 | 3 | 1 | 23 | 347.346 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 3.54 | -2.65 | 1 | 3 | 0 | 19 | 346.338 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 5.79 | -35.6 | 2 | 3 | 1 | 20 | 347.346 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 7.01 | -110.33 | 3 | 3 | 2 | 24 | 348.354 | 6 | ↓ |
