In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 25 | Yes |
Popular Name: (1R)-2-[(2S)-4-[(2R)-2-hydroxy-2-phenyl-ethyl]-2-methyl-piperazin-1-yl]-1-phenyl-ethanol (1R)-2-[(2S)-4-[(2R)-2-hydroxy-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) | 2.19 | 3.62 | -5.94 | 2 | 4 | 0 | 47 | 340.467 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 5.86 | -37.3 | 3 | 4 | 1 | 48 | 341.475 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 5.89 | -38.54 | 3 | 4 | 1 | 48 | 341.475 | 6 | ↓ |