In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 20 | Yes |
Popular Name: (2R)-3,3-dimethyl-1-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]butan-2-ol (2R)-3,3-dimethyl-1-[(2S)-4-meth…
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) | 2.87 | 6.57 | -34.7 | 2 | 3 | 1 | 28 | 277.432 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 4.2 | -2.37 | 1 | 3 | 0 | 27 | 276.424 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 8.5 | -113.06 | 3 | 3 | 2 | 29 | 278.44 | 4 | ↓ |