| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: 4-bromo-2-[(1S)-1-[[(1R)-1-(5-chloro-2-thienyl)ethyl]amino]propyl]phenol 4-bromo-2-[(1S)-1-[[(1R)-1-(5-ch…
| 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) | 5.04 | 7.68 | -36.23 | 3 | 2 | 1 | 37 | 375.739 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.04 | 6.86 | -3.27 | 2 | 2 | 0 | 32 | 374.731 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.04 | 8.4 | -31.4 | 2 | 2 | 0 | 40 | 374.731 | 5 | ↓ |
