| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-(2-dimethylaminoethyl)-N-propyl-ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-(2-…
| 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) | 2.27 | 5.52 | -113.5 | 4 | 3 | 2 | 35 | 336.343 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 5.24 | -35.27 | 3 | 3 | 1 | 34 | 335.335 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 3.05 | -47.88 | 3 | 3 | 1 | 34 | 335.335 | 8 | ↓ |
