| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-1-(4-methylpiperazin-1-yl)propan-2-amine (1S,2S)-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) | 1.66 | 4.02 | -95.06 | 4 | 3 | 2 | 35 | 320.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 1.32 | -1.74 | 2 | 3 | 0 | 32 | 318.284 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 1.65 | -42.6 | 3 | 3 | 1 | 34 | 319.292 | 3 | ↓ |
