In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(2-bromophenyl)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanamine (2S)-2-(2-bromophenyl)-2-[4-[(1R…
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) | 2.59 | 6.41 | -101.77 | 4 | 3 | 2 | 35 | 342.325 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 3.99 | -45.35 | 3 | 3 | 1 | 34 | 341.317 | 5 | ↓ |