| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-N1-[(4-fluorophenyl)methyl]-N1-methyl-propane-1,2-diamine (1S,2S)-1-(4-bromo-2-thienyl)-N1…
| 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) | 3.33 | 8.63 | -133.66 | 4 | 2 | 2 | 32 | 359.308 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 6.33 | -4.1 | 2 | 2 | 0 | 29 | 357.292 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 6.65 | -47.36 | 3 | 2 | 1 | 31 | 358.3 | 5 | ↓ |
