In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 16 | Yes |
Popular Name: 1-[4-[(2R)-2-amino-3,3-dimethyl-butyl]piperazin-1-yl]ethanone 1-[4-[(2R)-2-amino-3,3-dimethyl-…
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) | 0.16 | 2.22 | -49.02 | 3 | 4 | 1 | 51 | 228.36 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.16 | 4.25 | -137.67 | 4 | 4 | 2 | 52 | 229.368 | 3 | ↓ |