In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 19 | Yes |
Popular Name: 2-[4-[(1S)-2-amino-1-(4-bromophenyl)ethyl]piperazin-1-yl]ethanol 2-[4-[(1S)-2-amino-1-(4-bromophe…
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) | 0.80 | -0.05 | -51.18 | 4 | 4 | 1 | 54 | 329.262 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 2.34 | -110.37 | 5 | 4 | 2 | 56 | 330.27 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 1.95 | -135.47 | 5 | 4 | 2 | 56 | 330.27 | 5 | ↓ |