| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 17 | Yes |
Popular Name: (2S)-2-(4-isopropylpiperazin-1-yl)-2-(2-thienyl)ethanamine (2S)-2-(4-isopropylpiperazin-1-y…
| 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) | 1.19 | 4.1 | -100.81 | 4 | 3 | 2 | 35 | 255.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 1.53 | -1.89 | 2 | 3 | 0 | 32 | 253.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 1.88 | -45.15 | 3 | 3 | 1 | 34 | 254.423 | 4 | ↓ |
