| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[4-[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)butyl]piperazin-1-yl]ethanol 2-[4-[(1S,2R)-2-amino-1-(3-methy…
| 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) | 1.20 | 1.87 | -29.9 | 4 | 4 | 1 | 54 | 298.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | -0.31 | -4.42 | 3 | 4 | 0 | 53 | 297.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 0.48 | -42.81 | 4 | 4 | 1 | 54 | 298.476 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 2.14 | -111.65 | 5 | 4 | 2 | 56 | 299.484 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 2.32 | -100.96 | 5 | 4 | 2 | 56 | 299.484 | 6 | ↓ |
