| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-1-(4-propylpiperazin-1-yl)butan-2-amine (1S,2R)-1-(4-bromo-2-thienyl)-1-…
| 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) | 3.07 | 6.85 | -98.97 | 4 | 3 | 2 | 35 | 362.381 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 4.34 | -1.34 | 2 | 3 | 0 | 32 | 360.365 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 4.65 | -42.48 | 3 | 3 | 1 | 34 | 361.373 | 6 | ↓ |
