| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-1-[4-(3-thienylmethyl)piperazin-1-yl]propan-1-one (2S)-2-amino-1-[4-(3-thienylmeth…
| 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) | -0.25 | 1.78 | -45.25 | 3 | 4 | 1 | 51 | 254.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | 1.46 | -7.33 | 2 | 4 | 0 | 50 | 253.371 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 4.02 | -104.93 | 4 | 4 | 2 | 52 | 255.387 | 3 | ↓ |
