In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S,2S,4R)-2-(4-isopropylpiperazin-1-yl)-4-methyl-N-propyl-cyclohexanamine (1S,2S,4R)-2-(4-isopropylpiperaz…
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) | 2.96 | 7.77 | -90.83 | 3 | 3 | 2 | 24 | 283.504 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 5.34 | -34.56 | 2 | 3 | 1 | 23 | 282.496 | 5 | ↓ |