| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 18 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-(4-isopropylpiperazin-1-yl)ethanamine (2S)-2-(4-bromo-2-thienyl)-2-(4-…
| 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) | 1.93 | 4.71 | -105.66 | 4 | 3 | 2 | 35 | 334.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 2.43 | -2.36 | 2 | 3 | 0 | 32 | 332.311 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 2.48 | -47.39 | 3 | 3 | 1 | 34 | 333.319 | 4 | ↓ |
