In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: 1-[4-[(2S)-3-amino-2-methyl-propyl]piperazin-1-yl]-2-cyclohexyl-ethanone 1-[4-[(2S)-3-amino-2-methyl-prop…
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) | 1.85 | 5.13 | -50.78 | 3 | 4 | 1 | 51 | 282.452 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 7.07 | -116.87 | 4 | 4 | 2 | 52 | 283.46 | 5 | ↓ |